5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

C60H38N4 — CID 170268286

IUPAC5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6c5c5ccccc5n6-c5cccc6c5c5ccccc5n6-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C60H38N4/c1-3-18-39(19-4-1)40-20-15-23-42(38-40)62-48-28-11-7-24-43(48)44-36-37-56-59(60(44)62)47-27-10-14-31-51(47)64(56)55-35-17-34-54-58(55)46-26-9-13-30-50(46)63(54)53-33-16-32-52-57(53)45-25-8-12-29-49(45)61(52)41-21-5-2-6-22-41/h1-38H
InChIKeyKHZDPOBBYNTSTP-UHFFFAOYSA-N
MW814.99 g/mol
LogP15.74
Rot. Bonds5

About 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole

5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 170268286) has the molecular formula C60H38N4 and a molecular weight of 814.99 g/mol. Its IUPAC name is 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
PubChem CID170268286
Molecular FormulaC60H38N4
Molecular Weight814.99 g/mol
Exact Mass814.31
IUPAC Name5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6c5c5ccccc5n6-c5cccc6c5c5ccccc5n6-c5ccccc5)c43)c2)cc1
InChIInChI=1S/C60H38N4/c1-3-18-39(19-4-1)40-20-15-23-42(38-40)62-48-28-11-7-24-43(48)44-36-37-56-59(60(44)62)47-27-10-14-31-51(47)64(56)55-35-17-34-54-58(55)46-26-9-13-30-50(46)63(54)53-33-16-32-52-57(53)45-25-8-12-29-49(45)61(52)41-21-5-2-6-22-41/h1-38H
InChIKeyKHZDPOBBYNTSTP-UHFFFAOYSA-N
XLogP15.74
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 515.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

12-(4-carbazol-9-ylphenyl)-5-(3-phenylphenyl)indolo[3,2-c]carbazole
CID 134168741
5-phenyl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 153011834
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
5,12-bis[3-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598848
5-(3-phenylphenyl)-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 164847593
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
12-(4-phenylphenyl)-5-(3-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170676015
3-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 165075312
12-[4-(3-carbazol-9-ylphenyl)phenyl]-5-phenylindolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole;12-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159456602
12-(2-phenylphenyl)-5-[2-[9-(3-phenylphenyl)carbazol-2-yl]phenyl]indolo[3,2-c]carbazole
CID 176831302

Frequently Asked Questions

What is the IUPAC name of 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The IUPAC name of 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole (CID 170268286) is 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The canonical SMILES for 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5cccc6c5c5ccccc5n6-c5cccc6c5c5ccccc5n6-c5ccccc5)c43)c2)cc1.
What is the InChIKey of 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
The InChIKey is KHZDPOBBYNTSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N4/c1-3-18-39(19-4-1)40-20-15-23-42(38-40)62-48-28-11-7-24-43(48)44-36-37-56-59(60(44)62)47-27-10-14-31-51(47)64(56)55-35-17-34-54-58(55)46-26-9-13-30-50(46)63(54)53-33-16-32-52-57(53)45-25-8-12-29-49(45)61(52)41-21-5-2-6-22-41/h1-38H.
What are the key properties of 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole?
5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole has a molecular weight of 814.99 g/mol, XLogP of 15.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(9-phenylcarbazol-4-yl)carbazol-4-yl]-12-(3-phenylphenyl)indolo[3,2-c]carbazole is sourced from PubChem (CID 170268286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).