9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

C340H210N22 — CID 160941783

IUPAC9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7ccc8nc(-c9ccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)cc9)nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)c8c7)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7ccc8nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)c8c7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/2C170H105N11/c1-7-35-122(36-8-1)173-151-55-25-19-49-131(151)143-93-108(70-85-157(143)173)114-63-78-137-138-79-64-115(109-71-86-158-144(94-109)132-50-20-26-56-152(132)174(158)123-37-9-2-10-38-123)101-164(138)179(163(137)100-114)128-76-61-106(62-77-128)107-69-84-150-149(99-107)169(120-33-31-47-129(91-120)180-165-102-116(110-72-87-159-145(95-110)133-51-21-27-57-153(133)175(159)124-39-11-3-12-40-124)65-80-139(165)140-81-66-117(103-166(140)180)111-73-88-160-146(96-111)134-52-22-28-58-154(134)176(160)125-41-13-4-14-42-125)172-170(171-150)121-34-32-48-130(92-121)181-167-104-118(112-74-89-161-147(97-112)135-53-23-29-59-155(135)177(161)126-43-15-5-16-44-126)67-82-141(167)142-83-68-119(105-168(142)181)113-75-90-162-148(98-113)136-54-24-30-60-156(136)178(162)127-45-17-6-18-46-127;1-7-33-122(34-8-1)173-151-52-25-19-46-131(151)143-93-109(69-86-157(143)173)115-62-79-137-138-80-63-116(110-70-87-158-144(94-110)132-47-20-26-53-152(132)174(158)123-35-9-2-10-36-123)101-164(138)179(163(137)100-115)128-75-58-106(59-76-128)108-68-85-150-149(99-108)169(121-32-31-45-130(92-121)181-167-104-119(113-73-90-161-147(97-113)135-50-23-29-56-155(135)177(161)126-41-15-5-16-42-126)66-83-141(167)142-84-67-120(105-168(142)181)114-74-91-162-148(98-114)136-51-24-30-57-156(136)178(162)127-43-17-6-18-44-127)172-170(171-150)107-60-77-129(78-61-107)180-165-102-117(111-71-88-159-145(95-111)133-48-21-27-54-153(133)175(159)124-37-11-3-12-38-124)64-81-139(165)140-82-65-118(103-166(140)180)112-72-89-160-146(96-112)134-49-22-28-55-154(134)176(160)125-39-13-4-14-40-125/h2*1-105H
InChIKeySUPISAJBORGHBI-UHFFFAOYSA-N
MW4603.57 g/mol
LogP89.01
Rot. Bonds36

About 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole

9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 160941783) has the molecular formula C340H210N22 and a molecular weight of 4603.57 g/mol. Its IUPAC name is 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID160941783
Molecular FormulaC340H210N22
Molecular Weight4603.57 g/mol
Exact Mass4599.71
IUPAC Name9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7ccc8nc(-c9ccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)cc9)nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)c8c7)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7ccc8nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)c8c7)cc6)c5c4)ccc32)cc1
InChIInChI=1S/2C170H105N11/c1-7-35-122(36-8-1)173-151-55-25-19-49-131(151)143-93-108(70-85-157(143)173)114-63-78-137-138-79-64-115(109-71-86-158-144(94-109)132-50-20-26-56-152(132)174(158)123-37-9-2-10-38-123)101-164(138)179(163(137)100-114)128-76-61-106(62-77-128)107-69-84-150-149(99-107)169(120-33-31-47-129(91-120)180-165-102-116(110-72-87-159-145(95-110)133-51-21-27-57-153(133)175(159)124-39-11-3-12-40-124)65-80-139(165)140-81-66-117(103-166(140)180)111-73-88-160-146(96-111)134-52-22-28-58-154(134)176(160)125-41-13-4-14-42-125)172-170(171-150)121-34-32-48-130(92-121)181-167-104-118(112-74-89-161-147(97-112)135-53-23-29-59-155(135)177(161)126-43-15-5-16-44-126)67-82-141(167)142-83-68-119(105-168(142)181)113-75-90-162-148(98-113)136-54-24-30-60-156(136)178(162)127-45-17-6-18-46-127;1-7-33-122(34-8-1)173-151-52-25-19-46-131(151)143-93-109(69-86-157(143)173)115-62-79-137-138-80-63-116(110-70-87-158-144(94-110)132-47-20-26-53-152(132)174(158)123-35-9-2-10-36-123)101-164(138)179(163(137)100-115)128-75-58-106(59-76-128)108-68-85-150-149(99-108)169(121-32-31-45-130(92-121)181-167-104-119(113-73-90-161-147(97-113)135-50-23-29-56-155(135)177(161)126-41-15-5-16-42-126)66-83-141(167)142-84-67-120(105-168(142)181)114-74-91-162-148(98-114)136-51-24-30-57-156(136)178(162)127-43-17-6-18-44-127)172-170(171-150)107-60-77-129(78-61-107)180-165-102-117(111-71-88-159-145(95-111)133-48-21-27-54-153(133)175(159)124-37-11-3-12-38-124)64-81-139(165)140-82-65-118(103-166(140)180)112-72-89-160-146(96-112)134-49-22-28-55-154(134)176(160)125-39-13-4-14-40-125/h2*1-105H
InChIKeySUPISAJBORGHBI-UHFFFAOYSA-N
XLogP89.01
TPSA140.30 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds36
Heavy Atoms362
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004603.57
LogP ≤ 589.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

9-[3-[2,6-bis[4-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630568
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-2-yl)carbazole
CID 126630556
3-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 90129276
2-[4-(4-carbazol-9-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145158976
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 121444205
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[3-[2-[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 122677106
3-[9-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-2-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 160597833
2-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 71287197
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-4-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]quinazolin-2-yl]phenyl]carbazole
CID 126631957
11-[3-[4-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630945
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
11-[3-[4-[3-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]-6-[4-([1]benzothiolo[3,2-b]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-b]carbazole
CID 126630744

Frequently Asked Questions

What is the IUPAC name of 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole (CID 160941783) is 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7ccc8nc(-c9ccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)cc9)nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)c8c7)cc6)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6n(-c6ccc(-c7ccc8nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)nc(-c9cccc(-n%10c%11cc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)ccc%11c%11ccc(-c%12ccc%13c(c%12)c%12ccccc%12n%13-c%12ccccc%12)cc%11%10)c9)c8c7)cc6)c5c4)ccc32)cc1.
What is the InChIKey of 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is SUPISAJBORGHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C170H105N11/c1-7-35-122(36-8-1)173-151-55-25-19-49-131(151)143-93-108(70-85-157(143)173)114-63-78-137-138-79-64-115(109-71-86-158-144(94-109)132-50-20-26-56-152(132)174(158)123-37-9-2-10-38-123)101-164(138)179(163(137)100-114)128-76-61-106(62-77-128)107-69-84-150-149(99-107)169(120-33-31-47-129(91-120)180-165-102-116(110-72-87-159-145(95-110)133-51-21-27-57-153(133)175(159)124-39-11-3-12-40-124)65-80-139(165)140-81-66-117(103-166(140)180)111-73-88-160-146(96-111)134-52-22-28-58-154(134)176(160)125-41-13-4-14-42-125)172-170(171-150)121-34-32-48-130(92-121)181-167-104-118(112-74-89-161-147(97-112)135-53-23-29-59-155(135)177(161)126-43-15-5-16-44-126)67-82-141(167)142-83-68-119(105-168(142)181)113-75-90-162-148(98-113)136-54-24-30-60-156(136)178(162)127-45-17-6-18-46-127;1-7-33-122(34-8-1)173-151-52-25-19-46-131(151)143-93-109(69-86-157(143)173)115-62-79-137-138-80-63-116(110-70-87-158-144(94-110)132-47-20-26-53-152(132)174(158)123-35-9-2-10-36-123)101-164(138)179(163(137)100-115)128-75-58-106(59-76-128)108-68-85-150-149(99-108)169(121-32-31-45-130(92-121)181-167-104-119(113-73-90-161-147(97-113)135-50-23-29-56-155(135)177(161)126-41-15-5-16-42-126)66-83-141(167)142-84-67-120(105-168(142)181)114-74-91-162-148(98-114)136-51-24-30-57-156(136)178(162)127-43-17-6-18-44-127)172-170(171-150)107-60-77-129(78-61-107)180-165-102-117(111-71-88-159-145(95-111)133-48-21-27-54-153(133)175(159)124-37-11-3-12-38-124)64-81-139(165)140-82-65-118(103-166(140)180)112-72-89-160-146(96-112)134-49-22-28-55-154(134)176(160)125-39-13-4-14-40-125/h2*1-105H.
What are the key properties of 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole?
9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 4603.57 g/mol, XLogP of 89.01, 36 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[2,6-bis[4-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole;9-[4-[2,4-bis[3-[2,7-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]phenyl]-2,7-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 160941783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).