9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole

C101H77N5 — CID 126632356

IUPAC9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)C9CCCCC9C%10(C)C)ccc87)c6)c5)c4c3)ccc21
InChIInChI=1S/C101H77N5/c1-99(2)84-31-13-7-25-71(84)77-53-62(37-44-87(77)99)65-40-48-94-80(56-65)74-28-10-16-34-91(74)104(94)69-24-20-22-61(52-69)60-21-19-23-68(51-60)97-83-59-70(105-92-35-17-11-29-75(92)81-57-66(41-49-95(81)105)63-38-45-88-78(54-63)72-26-8-14-32-85(72)100(88,3)4)43-47-90(83)102-98(103-97)106-93-36-18-12-30-76(93)82-58-67(42-50-96(82)106)64-39-46-89-79(55-64)73-27-9-15-33-86(73)101(89,5)6/h8-12,14-24,26-30,32-59,71,84H,7,13,25,31H2,1-6H3
InChIKeyDNEPUFPPRLTOSE-UHFFFAOYSA-N
MW1360.76 g/mol
LogP26.43
Rot. Bonds8

About 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole

9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole (PubChem CID 126632356) has the molecular formula C101H77N5 and a molecular weight of 1360.76 g/mol. Its IUPAC name is 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole.

Molecular Properties

Compound Name9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole
PubChem CID126632356
Molecular FormulaC101H77N5
Molecular Weight1360.76 g/mol
Exact Mass1359.62
IUPAC Name9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)C9CCCCC9C%10(C)C)ccc87)c6)c5)c4c3)ccc21
InChIInChI=1S/C101H77N5/c1-99(2)84-31-13-7-25-71(84)77-53-62(37-44-87(77)99)65-40-48-94-80(56-65)74-28-10-16-34-91(74)104(94)69-24-20-22-61(52-69)60-21-19-23-68(51-60)97-83-59-70(105-92-35-17-11-29-75(92)81-57-66(41-49-95(81)105)63-38-45-88-78(54-63)72-26-8-14-32-85(72)100(88,3)4)43-47-90(83)102-98(103-97)106-93-36-18-12-30-76(93)82-58-67(42-50-96(82)106)64-39-46-89-79(55-64)73-27-9-15-33-86(73)101(89,5)6/h8-12,14-24,26-30,32-59,71,84H,7,13,25,31H2,1-6H3
InChIKeyDNEPUFPPRLTOSE-UHFFFAOYSA-N
XLogP26.43
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001360.76
LogP ≤ 526.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole with MolForge

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Related Compounds

2-(9,9-dimethylfluoren-3-yl)-9-[2-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-4-[3-[2-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]quinazolin-6-yl]carbazole
CID 126632204
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
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
3-(9,9-dimethylfluoren-3-yl)-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 142356903
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
6-carbazol-9-yl-1-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 163594823
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236852
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
16,16-dimethyl-10-(4-phenylquinazolin-2-yl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4,6,8,12,14,17,19,21,23-undecaene
CID 122464915
3-(9,9-dimethylfluoren-2-yl)-9-[3-[4-[3-(9,9-dimethylfluoren-2-yl)carbazol-9-yl]-6-(2,5-diphenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236850
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
5-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 134237084

Frequently Asked Questions

What is the IUPAC name of 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole?
The IUPAC name of 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole (CID 126632356) is 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole.
What is the SMILES notation for 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole?
The canonical SMILES for 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc4nc(-n5c6ccccc6c6cc(-c7ccc8c(c7)-c7ccccc7C8(C)C)ccc65)nc(-c5cccc(-c6cccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)C9CCCCC9C%10(C)C)ccc87)c6)c5)c4c3)ccc21.
What is the InChIKey of 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole?
The InChIKey is DNEPUFPPRLTOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H77N5/c1-99(2)84-31-13-7-25-71(84)77-53-62(37-44-87(77)99)65-40-48-94-80(56-65)74-28-10-16-34-91(74)104(94)69-24-20-22-61(52-69)60-21-19-23-68(51-60)97-83-59-70(105-92-35-17-11-29-75(92)81-57-66(41-49-95(81)105)63-38-45-88-78(54-63)72-26-8-14-32-85(72)100(88,3)4)43-47-90(83)102-98(103-97)106-93-36-18-12-30-76(93)82-58-67(42-50-96(82)106)64-39-46-89-79(55-64)73-27-9-15-33-86(73)101(89,5)6/h8-12,14-24,26-30,32-59,71,84H,7,13,25,31H2,1-6H3.
What are the key properties of 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole?
9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole has a molecular weight of 1360.76 g/mol, XLogP of 26.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[3-[2,6-bis[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]quinazolin-4-yl]phenyl]phenyl]-3-(9,9-dimethyl-4b,5,6,7,8,8a-hexahydrofluoren-3-yl)carbazole is sourced from PubChem (CID 126632356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).