9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole

C84H56N2 — CID 126503570

IUPAC9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)cc(-c7ccccc7)c5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C84H56N2/c1-9-25-57(26-10-1)67-45-68(58-27-11-2-12-28-58)48-73(47-67)85-81-43-41-65(51-77(81)79-55-71(61-33-17-5-18-34-61)53-75(83(79)85)63-37-21-7-22-38-63)66-42-44-82-78(52-66)80-56-72(62-35-19-6-20-36-62)54-76(64-39-23-8-24-40-64)84(80)86(82)74-49-69(59-29-13-3-14-30-59)46-70(50-74)60-31-15-4-16-32-60/h1-56H
InChIKeyLXRFORPJAYICAX-UHFFFAOYSA-N
MW1093.39 g/mol
LogP22.88
Rot. Bonds11

About 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole

9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole (PubChem CID 126503570) has the molecular formula C84H56N2 and a molecular weight of 1093.39 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
PubChem CID126503570
Molecular FormulaC84H56N2
Molecular Weight1093.39 g/mol
Exact Mass1092.44
IUPAC Name9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)cc(-c7ccccc7)c5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C84H56N2/c1-9-25-57(26-10-1)67-45-68(58-27-11-2-12-28-58)48-73(47-67)85-81-43-41-65(51-77(81)79-55-71(61-33-17-5-18-34-61)53-75(83(79)85)63-37-21-7-22-38-63)66-42-44-82-78(52-66)80-56-72(62-35-19-6-20-36-62)54-76(64-39-23-8-24-40-64)84(80)86(82)74-49-69(59-29-13-3-14-30-59)46-70(50-74)60-31-15-4-16-32-60/h1-56H
InChIKeyLXRFORPJAYICAX-UHFFFAOYSA-N
XLogP22.88
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.39
LogP ≤ 522.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372
9-(3,5-diphenylphenyl)-1,3-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 155600000
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
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
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
12-(3,5-diphenylphenyl)-3,11-diphenylindolo[2,3-a]carbazole
CID 118318986
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole?
The IUPAC name of 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole (CID 126503570) is 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole?
The canonical SMILES for 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccccc7)cc(-c7ccccc7)c5n6-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)c2)cc1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole?
The InChIKey is LXRFORPJAYICAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H56N2/c1-9-25-57(26-10-1)67-45-68(58-27-11-2-12-28-58)48-73(47-67)85-81-43-41-65(51-77(81)79-55-71(61-33-17-5-18-34-61)53-75(83(79)85)63-37-21-7-22-38-63)66-42-44-82-78(52-66)80-56-72(62-35-19-6-20-36-62)54-76(64-39-23-8-24-40-64)84(80)86(82)74-49-69(59-29-13-3-14-30-59)46-70(50-74)60-31-15-4-16-32-60/h1-56H.
What are the key properties of 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole?
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole has a molecular weight of 1093.39 g/mol, XLogP of 22.88, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole is sourced from PubChem (CID 126503570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).