3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C170H105N11 — CID 126630529

IUPAC3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccc8c(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%12n%13-c%12ccccc%12)ccc%11%10)c9)nnc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%12n%13-c%12ccccc%12)ccc%11%10)c9)c8c7)c6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C170H105N11/c1-7-37-122(38-8-1)173-151-58-25-19-52-131(151)138-93-108(65-78-157(138)173)114-71-84-163-144(99-114)147-102-117(74-87-166(147)176(163)125-43-13-4-14-44-125)111-68-81-160-141(96-111)134-55-22-28-61-154(134)179(160)128-49-31-34-106(90-128)107-64-77-137-150(105-107)170(121-36-33-51-130(92-121)181-156-63-30-24-57-136(156)143-98-113(70-83-162(143)181)119-76-89-168-149(104-119)146-101-116(73-86-165(146)178(168)127-47-17-6-18-48-127)110-67-80-159-140(95-110)133-54-21-27-60-153(133)175(159)124-41-11-3-12-42-124)172-171-169(137)120-35-32-50-129(91-120)180-155-62-29-23-56-135(155)142-97-112(69-82-161(142)180)118-75-88-167-148(103-118)145-100-115(72-85-164(145)177(167)126-45-15-5-16-46-126)109-66-79-158-139(94-109)132-53-20-26-59-152(132)174(158)123-39-9-2-10-40-123/h1-105H
InChIKeyXZMCLWYBWXAGSG-UHFFFAOYSA-N
MW2301.79 g/mol
LogP44.51
Rot. Bonds18

About 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126630529) has the molecular formula C170H105N11 and a molecular weight of 2301.79 g/mol. Its IUPAC name is 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
PubChem CID126630529
Molecular FormulaC170H105N11
Molecular Weight2301.79 g/mol
Exact Mass2299.86
IUPAC Name3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccc8c(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%12n%13-c%12ccccc%12)ccc%11%10)c9)nnc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%12n%13-c%12ccccc%12)ccc%11%10)c9)c8c7)c6)ccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C170H105N11/c1-7-37-122(38-8-1)173-151-58-25-19-52-131(151)138-93-108(65-78-157(138)173)114-71-84-163-144(99-114)147-102-117(74-87-166(147)176(163)125-43-13-4-14-44-125)111-68-81-160-141(96-111)134-55-22-28-61-154(134)179(160)128-49-31-34-106(90-128)107-64-77-137-150(105-107)170(121-36-33-51-130(92-121)181-156-63-30-24-57-136(156)143-98-113(70-83-162(143)181)119-76-89-168-149(104-119)146-101-116(73-86-165(146)178(168)127-47-17-6-18-48-127)110-67-80-159-140(95-110)133-54-21-27-60-153(133)175(159)124-41-11-3-12-42-124)172-171-169(137)120-35-32-50-129(91-120)180-155-62-29-23-56-135(155)142-97-112(69-82-161(142)180)118-75-88-167-148(103-118)145-100-115(72-85-164(145)177(167)126-45-15-5-16-46-126)109-66-79-158-139(94-109)132-53-20-26-59-152(132)174(158)123-39-9-2-10-40-123/h1-105H
InChIKeyXZMCLWYBWXAGSG-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

Analyze 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole with MolForge

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Related Compounds

3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-9-(3-phenylphenyl)carbazole
CID 174179540
2-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162164191
2-phenyl-9-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole;2-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole;3-phenyl-9-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165078172
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
9-(3-phenylphenyl)-2-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 165386227
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 126630529) is 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6cccc(-c7ccc8c(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%12n%13-c%12ccccc%12)ccc%11%10)c9)nnc(-c9cccc(-n%10c%11ccccc%11c%11cc(-c%12ccc%13c(c%12)c%12cc(-c%14ccc%15c(c%14)c%14ccccc%14n%15-c%14ccccc%14)ccc%12n%13-c%12ccccc%12)ccc%11%10)c9)c8c7)c6)ccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is XZMCLWYBWXAGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C170H105N11/c1-7-37-122(38-8-1)173-151-58-25-19-52-131(151)138-93-108(65-78-157(138)173)114-71-84-163-144(99-114)147-102-117(74-87-166(147)176(163)125-43-13-4-14-44-125)111-68-81-160-141(96-111)134-55-22-28-61-154(134)179(160)128-49-31-34-106(90-128)107-64-77-137-150(105-107)170(121-36-33-51-130(92-121)181-156-63-30-24-57-136(156)143-98-113(70-83-162(143)181)119-76-89-168-149(104-119)146-101-116(73-86-165(146)178(168)127-47-17-6-18-48-127)110-67-80-159-140(95-110)133-54-21-27-60-153(133)175(159)124-41-11-3-12-42-124)172-171-169(137)120-35-32-50-129(91-120)180-155-62-29-23-56-135(155)142-97-112(69-82-161(142)180)118-75-88-167-148(103-118)145-100-115(72-85-164(145)177(167)126-45-15-5-16-46-126)109-66-79-158-139(94-109)132-53-20-26-59-152(132)174(158)123-39-9-2-10-40-123/h1-105H.
What are the key properties of 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?
3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-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 3-[9-[3-[1,4-bis[3-[3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phthalazin-6-yl]phenyl]carbazol-3-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126630529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).