1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole

C90H61N — CID 139311565

IUPAC1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C90H61N/c1-8-30-62(31-9-1)68-52-69(63-32-10-2-11-33-63)55-74(54-68)77-44-22-24-46-79(77)81-48-26-28-50-83(81)85-58-72(66-38-16-5-17-39-66)60-87-88-61-73(67-40-18-6-19-41-67)59-86(90(88)91(89(85)87)76-42-20-7-21-43-76)84-51-29-27-49-82(84)80-47-25-23-45-78(80)75-56-70(64-34-12-3-13-35-64)53-71(57-75)65-36-14-4-15-37-65/h1-61H
InChIKeyKBKQECHVKHJQET-UHFFFAOYSA-N
MW1156.49 g/mol
LogP24.79
Rot. Bonds13

About 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole

1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole (PubChem CID 139311565) has the molecular formula C90H61N and a molecular weight of 1156.49 g/mol. Its IUPAC name is 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole.

Molecular Properties

Compound Name1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole
PubChem CID139311565
Molecular FormulaC90H61N
Molecular Weight1156.49 g/mol
Exact Mass1155.48
IUPAC Name1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5n(-c5ccccc5)c34)c2)cc1
InChIInChI=1S/C90H61N/c1-8-30-62(31-9-1)68-52-69(63-32-10-2-11-33-63)55-74(54-68)77-44-22-24-46-79(77)81-48-26-28-50-83(81)85-58-72(66-38-16-5-17-39-66)60-87-88-61-73(67-40-18-6-19-41-67)59-86(90(88)91(89(85)87)76-42-20-7-21-43-76)84-51-29-27-49-82(84)80-47-25-23-45-78(80)75-56-70(64-34-12-3-13-35-64)53-71(57-75)65-36-14-4-15-37-65/h1-61H
InChIKeyKBKQECHVKHJQET-UHFFFAOYSA-N
XLogP24.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001156.49
LogP ≤ 524.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
23-phenyl-10,18-bis(3-phenylphenyl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15(20),16,18,21(25),22-dodecaene
CID 121446881
1,8-bis[2-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-9-phenylcarbazole;1,8-bis[2-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]-3,6,9-triphenylcarbazole;1,8-bis[2-(3,5-diphenylphenyl)phenyl]-9-methylcarbazole
CID 158623894
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
1,8-bis[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 139311961
23-(9-phenylcarbazol-2-yl)-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8,10,12,15,17,19,21(25),22-dodecaene
CID 145085317
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6,9-triphenyl-8-(9-phenylcarbazol-3-yl)carbazole
CID 121422470
10-[4-[8-(4-phenoxazin-10-ylphenyl)-3,6,9-triphenylcarbazol-1-yl]phenyl]phenoxazine
CID 139312569
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole?
The IUPAC name of 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole (CID 139311565) is 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole.
What is the SMILES notation for 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole?
The canonical SMILES for 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3-c3ccccc3-c3cc(-c4ccccc4)cc4c5cc(-c6ccccc6)cc(-c6ccccc6-c6ccccc6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)c5n(-c5ccccc5)c34)c2)cc1.
What is the InChIKey of 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole?
The InChIKey is KBKQECHVKHJQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H61N/c1-8-30-62(31-9-1)68-52-69(63-32-10-2-11-33-63)55-74(54-68)77-44-22-24-46-79(77)81-48-26-28-50-83(81)85-58-72(66-38-16-5-17-39-66)60-87-88-61-73(67-40-18-6-19-41-67)59-86(90(88)91(89(85)87)76-42-20-7-21-43-76)84-51-29-27-49-82(84)80-47-25-23-45-78(80)75-56-70(64-34-12-3-13-35-64)53-71(57-75)65-36-14-4-15-37-65/h1-61H.
What are the key properties of 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole?
1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole has a molecular weight of 1156.49 g/mol, XLogP of 24.79, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[2-[2-(3,5-diphenylphenyl)phenyl]phenyl]-3,6,9-triphenylcarbazole is sourced from PubChem (CID 139311565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).