3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole

C60H40N2 — CID 139319655

IUPAC3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4c4c(-c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C60H40N2/c1-5-16-41(17-6-1)43-28-33-49(34-29-43)61-58-37-32-48(40-54(58)60-50(25-15-27-59(60)61)44-20-9-3-10-21-44)47-31-36-57-53(39-47)51-24-13-14-26-55(51)62(57)56-35-30-46(42-18-7-2-8-19-42)38-52(56)45-22-11-4-12-23-45/h1-40H
InChIKeyPOWYVRMBSUIFRT-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.22
Rot. Bonds7

About 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole

3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole (PubChem CID 139319655) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
PubChem CID139319655
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC Name3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4c4c(-c5ccccc5)cccc43)cc2)cc1
InChIInChI=1S/C60H40N2/c1-5-16-41(17-6-1)43-28-33-49(34-29-43)61-58-37-32-48(40-54(58)60-50(25-15-27-59(60)61)44-20-9-3-10-21-44)47-31-36-57-53(39-47)51-24-13-14-26-55(51)62(57)56-35-30-46(42-18-7-2-8-19-42)38-52(56)45-22-11-4-12-23-45/h1-40H
InChIKeyPOWYVRMBSUIFRT-UHFFFAOYSA-N
XLogP16.22
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole
CID 139319523
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-5,9-diphenylcarbazole;3-[4-[9-(2,4-diphenylphenyl)carbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole;5-phenyl-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 159660709
5-(3-phenylphenyl)-9-(4-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319559
3-[4-[9-(2,4-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(3-phenylphenyl)carbazole;3-[4-[9-(2,4-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole;3-[4-[9-(2,5-diphenylphenyl)-6-phenylcarbazol-3-yl]phenyl]-5-phenyl-9-(4-phenylphenyl)carbazole
CID 159801805
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 162115946
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
5-phenyl-9-(3-phenylphenyl)-3-[4-[9-(2-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 139319609
3-[4-[9-(2,5-diphenylphenyl)carbazol-3-yl]phenyl]-9-phenyl-5-(3-phenylphenyl)carbazole
CID 139319565
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
9-(2,4-diphenylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176781515

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole (CID 139319655) is 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5-c5ccccc5)cc4c4c(-c5ccccc5)cccc43)cc2)cc1.
What is the InChIKey of 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole?
The InChIKey is POWYVRMBSUIFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-5-16-41(17-6-1)43-28-33-49(34-29-43)61-58-37-32-48(40-54(58)60-50(25-15-27-59(60)61)44-20-9-3-10-21-44)47-31-36-57-53(39-47)51-24-13-14-26-55(51)62(57)56-35-30-46(42-18-7-2-8-19-42)38-52(56)45-22-11-4-12-23-45/h1-40H.
What are the key properties of 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole?
3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole has a molecular weight of 788.99 g/mol, XLogP of 16.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,4-diphenylphenyl)carbazol-3-yl]-5-phenyl-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 139319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).