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

C152H93N11 — CID 126630606

IUPAC9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc5nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c4)ccc32)cc1
InChIInChI=1S/C152H93N11/c1-7-31-106(32-8-1)155-133-49-25-19-43-113(133)119-81-94(55-69-139(119)155)100-61-75-145-125(87-100)126-88-101(95-56-70-140-120(82-95)114-44-20-26-50-134(114)156(140)107-33-9-2-10-34-107)62-76-146(126)161(145)112-67-68-132-131(93-112)151(162-147-77-63-102(96-57-71-141-121(83-96)115-45-21-27-51-135(115)157(141)108-35-11-3-12-36-108)89-127(147)128-90-103(64-78-148(128)162)97-58-72-142-122(84-97)116-46-22-28-52-136(116)158(142)109-37-13-4-14-38-109)154-152(153-132)163-149-79-65-104(98-59-73-143-123(85-98)117-47-23-29-53-137(117)159(143)110-39-15-5-16-40-110)91-129(149)130-92-105(66-80-150(130)163)99-60-74-144-124(86-99)118-48-24-30-54-138(118)160(144)111-41-17-6-18-42-111/h1-93H
InChIKeyGGKMFSFMKRRLGF-UHFFFAOYSA-N
MW2073.49 g/mol
LogP39.51
Rot. Bonds15

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

9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 126630606) has the molecular formula C152H93N11 and a molecular weight of 2073.49 g/mol. Its IUPAC name is 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
PubChem CID126630606
Molecular FormulaC152H93N11
Molecular Weight2073.49 g/mol
Exact Mass2071.76
IUPAC Name9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc5nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c4)ccc32)cc1
InChIInChI=1S/C152H93N11/c1-7-31-106(32-8-1)155-133-49-25-19-43-113(133)119-81-94(55-69-139(119)155)100-61-75-145-125(87-100)126-88-101(95-56-70-140-120(82-95)114-44-20-26-50-134(114)156(140)107-33-9-2-10-34-107)62-76-146(126)161(145)112-67-68-132-131(93-112)151(162-147-77-63-102(96-57-71-141-121(83-96)115-45-21-27-51-135(115)157(141)108-35-11-3-12-36-108)89-127(147)128-90-103(64-78-148(128)162)97-58-72-142-122(84-97)116-46-22-28-52-136(116)158(142)109-37-13-4-14-38-109)154-152(153-132)163-149-79-65-104(98-59-73-143-123(85-98)117-47-23-29-53-137(117)159(143)110-39-15-5-16-40-110)91-129(149)130-92-105(66-80-150(130)163)99-60-74-144-124(86-99)118-48-24-30-54-138(118)160(144)111-41-17-6-18-42-111/h1-93H
InChIKeyGGKMFSFMKRRLGF-UHFFFAOYSA-N
XLogP39.51
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002073.49
LogP ≤ 539.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Related Compounds

7-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]-[1]benzofuro[2,3-b]carbazole
CID 126632703
9-[2,4-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-6-yl]-3-(9,9-dimethylfluoren-3-yl)carbazole
CID 126632325
bis(3-carbazol-9-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole);9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 159641883
3-(9-phenylcarbazol-3-yl)-9-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 174179535
9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[9-[4-[4-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 146176762
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212
3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-pyrimidin-2-ylcarbazole
CID 118487712
3-(9-phenylcarbazol-3-yl)-9-[2-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-4-yl]carbazole
CID 126632833
3-[9-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 170315703
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3,6-bis(3-phenylcarbazol-9-yl)carbazole
CID 58556490
2-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4-carbazol-9-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 162263267
3,9-diphenyl-6-[6-phenyl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-triphenylen-2-ylcarbazole
CID 158716979

Frequently Asked Questions

What is the IUPAC name of 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole (CID 126630606) is 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc5nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)nc(-n6c7ccc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cc7c7cc(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)ccc76)c5c4)ccc32)cc1.
What is the InChIKey of 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is GGKMFSFMKRRLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C152H93N11/c1-7-31-106(32-8-1)155-133-49-25-19-43-113(133)119-81-94(55-69-139(119)155)100-61-75-145-125(87-100)126-88-101(95-56-70-140-120(82-95)114-44-20-26-50-134(114)156(140)107-33-9-2-10-34-107)62-76-146(126)161(145)112-67-68-132-131(93-112)151(162-147-77-63-102(96-57-71-141-121(83-96)115-45-21-27-51-135(115)157(141)108-35-11-3-12-36-108)89-127(147)128-90-103(64-78-148(128)162)97-58-72-142-122(84-97)116-46-22-28-52-136(116)158(142)109-37-13-4-14-38-109)154-152(153-132)163-149-79-65-104(98-59-73-143-123(85-98)117-47-23-29-53-137(117)159(143)110-39-15-5-16-40-110)91-129(149)130-92-105(66-80-150(130)163)99-60-74-144-124(86-99)118-48-24-30-54-138(118)160(144)111-41-17-6-18-42-111/h1-93H.
What are the key properties of 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole?
9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2073.49 g/mol, XLogP of 39.51, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2,4-bis[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 126630606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).