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

C170H105N11 — CID 126630556

IUPAC9-[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
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)c6)nc6ccc(-c7cccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)c7)cc56)cc4)cc32)cc1
InChIInChI=1S/C170H105N11/c1-7-35-122(36-8-1)174-151-55-25-19-49-131(151)137-78-63-115(100-163(137)174)109-70-85-157-143(93-109)144-94-110(116-64-79-138-132-50-20-26-56-152(132)175(164(138)101-116)123-37-9-2-10-38-123)71-86-158(144)173(157)128-76-61-106(62-77-128)169-149-99-108(107-33-31-47-129(91-107)180-159-87-72-111(117-65-80-139-133-51-21-27-57-153(133)176(165(139)102-117)124-39-11-3-12-40-124)95-145(159)146-96-112(73-88-160(146)180)118-66-81-140-134-52-22-28-58-154(134)177(166(140)103-118)125-41-13-4-14-42-125)69-84-150(149)171-170(172-169)121-34-32-48-130(92-121)181-161-89-74-113(119-67-82-141-135-53-23-29-59-155(135)178(167(141)104-119)126-43-15-5-16-44-126)97-147(161)148-98-114(75-90-162(148)181)120-68-83-142-136-54-24-30-60-156(136)179(168(142)105-120)127-45-17-6-18-46-127/h1-105H
InChIKeyDLQUMONMGXONLY-UHFFFAOYSA-N
MW2301.79 g/mol
LogP44.51
Rot. Bonds18

About 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

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 (PubChem CID 126630556) has the molecular formula C170H105N11 and a molecular weight of 2301.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID126630556
Molecular FormulaC170H105N11
Molecular Weight2301.79 g/mol
Exact Mass2299.86
IUPAC Name9-[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
SMILESc1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)c6)nc6ccc(-c7cccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)c7)cc56)cc4)cc32)cc1
InChIInChI=1S/C170H105N11/c1-7-35-122(36-8-1)174-151-55-25-19-49-131(151)137-78-63-115(100-163(137)174)109-70-85-157-143(93-109)144-94-110(116-64-79-138-132-50-20-26-56-152(132)175(164(138)101-116)123-37-9-2-10-38-123)71-86-158(144)173(157)128-76-61-106(62-77-128)169-149-99-108(107-33-31-47-129(91-107)180-159-87-72-111(117-65-80-139-133-51-21-27-57-153(133)176(165(139)102-117)124-39-11-3-12-40-124)95-145(159)146-96-112(73-88-160(146)180)118-66-81-140-134-52-22-28-58-154(134)177(166(140)103-118)125-41-13-4-14-42-125)69-84-150(149)171-170(172-169)121-34-32-48-130(92-121)181-161-89-74-113(119-67-82-141-135-53-23-29-59-155(135)178(167(141)104-119)126-43-15-5-16-44-126)97-147(161)148-98-114(75-90-162(148)181)120-68-83-142-136-54-24-30-60-156(136)179(168(142)105-120)127-45-17-6-18-46-127/h1-105H
InChIKeyDLQUMONMGXONLY-UHFFFAOYSA-N
XLogP44.51
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002301.79
LogP ≤ 544.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

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
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
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-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
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
1-phenyl-8-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 134189758
11-[4-[2-[3-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 126630887
2-[9-(2,4-diphenylcyclodeca[d]pyrimidin-8-yl)carbazol-2-yl]-9-phenylcarbazole
CID 122524404
3-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]-9-phenylcarbazole
CID 146435061
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-2-yl]-9-phenylcarbazole;2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylquinazolin-2-yl)phenyl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(2-phenylquinazolin-4-yl)phenyl]carbazole;2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylquinazolin-2-yl)phenyl]carbazole
CID 160965980

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5-c4ccc(-c5nc(-c6cccc(-n7c8ccc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)cc8c8cc(-c9ccc%10c%11ccccc%11n(-c%11ccccc%11)c%10c9)ccc87)c6)nc6ccc(-c7cccc(-n8c9ccc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)cc9c9cc(-c%10ccc%11c%12ccccc%12n(-c%12ccccc%12)c%11c%10)ccc98)c7)cc56)cc4)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is DLQUMONMGXONLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H105N11/c1-7-35-122(36-8-1)174-151-55-25-19-49-131(151)137-78-63-115(100-163(137)174)109-70-85-157-143(93-109)144-94-110(116-64-79-138-132-50-20-26-56-152(132)175(164(138)101-116)123-37-9-2-10-38-123)71-86-158(144)173(157)128-76-61-106(62-77-128)169-149-99-108(107-33-31-47-129(91-107)180-159-87-72-111(117-65-80-139-133-51-21-27-57-153(133)176(165(139)102-117)124-39-11-3-12-40-124)95-145(159)146-96-112(73-88-160(146)180)118-66-81-140-134-52-22-28-58-154(134)177(166(140)103-118)125-41-13-4-14-42-125)69-84-150(149)171-170(172-169)121-34-32-48-130(92-121)181-161-89-74-113(119-67-82-141-135-53-23-29-59-155(135)178(167(141)104-119)126-43-15-5-16-44-126)97-147(161)148-98-114(75-90-162(148)181)120-68-83-142-136-54-24-30-60-156(136)179(168(142)105-120)127-45-17-6-18-46-127/h1-105H.
What are the key properties of 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?
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 has a molecular weight of 2301.79 g/mol, XLogP of 44.51, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126630556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).