5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

C52H33N3 — CID 134168814

IUPAC5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)c32)cc1
InChIInChI=1S/C52H33N3/c1-2-16-38(17-3-1)55-47-23-10-6-19-41(47)43-28-30-50-51(52(43)55)44-21-8-11-24-48(44)54(50)39-18-12-15-36(32-39)37-26-29-49-45(33-37)42-20-7-9-22-46(42)53(49)40-27-25-34-13-4-5-14-35(34)31-40/h1-33H
InChIKeyMIDPHUUEMYNVNL-UHFFFAOYSA-N
MW699.86 g/mol
LogP13.80
Rot. Bonds4

About 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole

5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 134168814) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID134168814
Molecular FormulaC52H33N3
Molecular Weight699.86 g/mol
Exact Mass699.27
IUPAC Name5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
SMILESc1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)c32)cc1
InChIInChI=1S/C52H33N3/c1-2-16-38(17-3-1)55-47-23-10-6-19-41(47)43-28-30-50-51(52(43)55)44-21-8-11-24-48(44)54(50)39-18-12-15-36(32-39)37-26-29-49-45(33-37)42-20-7-9-22-46(42)53(49)40-27-25-34-13-4-5-14-35(34)31-40/h1-33H
InChIKeyMIDPHUUEMYNVNL-UHFFFAOYSA-N
XLogP13.80
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.86
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

12-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-9-(9-naphthalen-2-ylcarbazol-3-yl)-5-phenylindolo[3,2-c]carbazole
CID 158507542
9-naphthalen-2-yl-14-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-12-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-c]carbazole
CID 158811809
5-(9-naphthalen-2-ylcarbazol-3-yl)-9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;3-(9-naphthalen-2-ylcarbazol-3-yl)-11,12-diphenylindolo[2,3-a]carbazole;2-(9-naphthalen-2-ylcarbazol-3-yl)-5,12-diphenylindolo[3,2-c]carbazole
CID 159391615
5-naphthalen-2-yl-12-[3-(3-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 142481966
5,12-bis(4-phenylphenyl)indolo[3,2-c]carbazole;5,12-dinaphthalen-2-ylindolo[3,2-c]carbazole;11-(3,5-diphenylphenyl)-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 167695725
5-phenyl-12-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]indolo[3,2-c]carbazole
CID 134168773
9-naphthalen-2-yl-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;9-(4-naphthalen-2-ylphenyl)-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;12-(4-naphthalen-2-ylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 159589030
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
5-(3-phenylphenyl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126656172
12-(3-phenylphenyl)-5-[4-(4-phenylphenyl)phenyl]indolo[3,2-c]carbazole
CID 122598833
12-[3-(4-carbazol-9-ylphenyl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 134168746
N-[4-[3-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 145273364

Frequently Asked Questions

What is the IUPAC name of 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole (CID 134168814) is 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is c1ccc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cccc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6ccccc6c5)c4)c32)cc1.
What is the InChIKey of 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is MIDPHUUEMYNVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-2-16-38(17-3-1)55-47-23-10-6-19-41(47)43-28-30-50-51(52(43)55)44-21-8-11-24-48(44)54(50)39-18-12-15-36(32-39)37-26-29-49-45(33-37)42-20-7-9-22-46(42)53(49)40-27-25-34-13-4-5-14-35(34)31-40/h1-33H.
What are the key properties of 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 699.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 134168814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).