1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole

C72H48N2 — CID 121449228

IUPAC1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)cc(-c8ccccc8)c6n7-c6ccccc6)cc5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C72H48N2/c1-7-19-49(20-8-1)52-35-39-62(40-36-52)74-70-42-38-58(44-66(70)68-48-60(51-23-11-3-12-24-51)46-64(72(68)74)56-27-15-5-16-28-56)54-33-31-53(32-34-54)57-37-41-69-65(43-57)67-47-59(50-21-9-2-10-22-50)45-63(55-25-13-4-14-26-55)71(67)73(69)61-29-17-6-18-30-61/h1-48H
InChIKeyHZWWHYHLVKXIGV-UHFFFAOYSA-N
MW941.19 g/mol
LogP19.55
Rot. Bonds9

About 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole

1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 121449228) has the molecular formula C72H48N2 and a molecular weight of 941.19 g/mol. Its IUPAC name is 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
PubChem CID121449228
Molecular FormulaC72H48N2
Molecular Weight941.19 g/mol
Exact Mass940.38
IUPAC Name1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)cc(-c8ccccc8)c6n7-c6ccccc6)cc5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)cc1
InChIInChI=1S/C72H48N2/c1-7-19-49(20-8-1)52-35-39-62(40-36-52)74-70-42-38-58(44-66(70)68-48-60(51-23-11-3-12-24-51)46-64(72(68)74)56-27-15-5-16-28-56)54-33-31-53(32-34-54)57-37-41-69-65(43-57)67-47-59(50-21-9-2-10-22-50)45-63(55-25-13-4-14-26-55)71(67)73(69)61-29-17-6-18-30-61/h1-48H
InChIKeyHZWWHYHLVKXIGV-UHFFFAOYSA-N
XLogP19.55
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500941.19
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
9-phenyl-1,3,6-tris(9-phenylcarbazol-3-yl)carbazole
CID 126503545
6-naphthalen-1-yl-1,3,9-triphenylcarbazole
CID 118448580
10-[4-(1,3-diphenylcarbazol-9-yl)phenyl]-2,7-diphenylacridin-9-one
CID 118448566
3-carbazol-9-yl-9-phenyl-1-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 138705475
1-(3,6-diphenylcarbazol-9-yl)-3,6-diphenyl-9-(4-phenylphenyl)carbazole
CID 170209650
1,3-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 160788442
6,9-di(dibenzothiophen-2-yl)-1,3-diphenylcarbazole
CID 123584276
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
N,N-bis(4-pyridin-2-ylphenyl)-4-(6,8,9-triphenylcarbazol-3-yl)aniline
CID 145110624
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole (CID 121449228) is 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(-c6ccc7c(c6)c6cc(-c8ccccc8)cc(-c8ccccc8)c6n7-c6ccccc6)cc5)cc4c4cc(-c5ccccc5)cc(-c5ccccc5)c43)cc2)cc1.
What is the InChIKey of 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is HZWWHYHLVKXIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H48N2/c1-7-19-49(20-8-1)52-35-39-62(40-36-52)74-70-42-38-58(44-66(70)68-48-60(51-23-11-3-12-24-51)46-64(72(68)74)56-27-15-5-16-28-56)54-33-31-53(32-34-54)57-37-41-69-65(43-57)67-47-59(50-21-9-2-10-22-50)45-63(55-25-13-4-14-26-55)71(67)73(69)61-29-17-6-18-30-61/h1-48H.
What are the key properties of 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole?
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole has a molecular weight of 941.19 g/mol, XLogP of 19.55, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 121449228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).