5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

C52H34N2 — CID 154952653

IUPAC5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc3cccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C52H34N2/c1-4-16-35(17-5-1)44-31-38-21-15-27-41(46(38)32-45(44)36-18-6-2-7-19-36)37-20-14-24-40(30-37)54-50-29-13-11-26-43(50)48-33-47-42-25-10-12-28-49(42)53(51(47)34-52(48)54)39-22-8-3-9-23-39/h1-34H
InChIKeyDZOAWDGPSITUNI-UHFFFAOYSA-N
MW686.86 g/mol
LogP14.03
Rot. Bonds5

About 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole

5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 154952653) has the molecular formula C52H34N2 and a molecular weight of 686.86 g/mol. Its IUPAC name is 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.

Molecular Properties

Compound Name5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
PubChem CID154952653
Molecular FormulaC52H34N2
Molecular Weight686.86 g/mol
Exact Mass686.27
IUPAC Name5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
SMILESc1ccc(-c2cc3cccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)c3cc2-c2ccccc2)cc1
InChIInChI=1S/C52H34N2/c1-4-16-35(17-5-1)44-31-38-21-15-27-41(46(38)32-45(44)36-18-6-2-7-19-36)37-20-14-24-40(30-37)54-50-29-13-11-26-43(50)48-33-47-42-25-10-12-28-49(42)53(51(47)34-52(48)54)39-22-8-3-9-23-39/h1-34H
InChIKeyDZOAWDGPSITUNI-UHFFFAOYSA-N
XLogP14.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.86
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 159770105
16-(3-naphthalen-1-ylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 174232921
9-[3-[3-[5-(4-carbazol-9-ylphenyl)anthracen-1-yl]phenyl]phenyl]carbazole;3-phenyl-9-[4-[5-[4-(3-phenylcarbazol-9-yl)phenyl]anthracen-1-yl]phenyl]carbazole
CID 160946049
3-[9-(3-naphthalen-1-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 159858070
3,9-bis(4-naphthalen-1-ylphenyl)carbazole;3-(4-naphthalen-1-ylphenyl)-9-(3-phenylphenyl)carbazole
CID 157309871
12-phenyl-16-[3-(2-phenylphenyl)phenyl]-12,16-diazahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 155465610
7-phenyl-5-[3-[6-phenyl-4-(2-phenylphenyl)-2-pyridinyl]phenyl]indolo[2,3-b]carbazole
CID 155240898
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
3,9-diphenyl-2-(9-phenylcarbazol-3-yl)carbazole
CID 90321526
3-naphthalen-1-yl-9-[3-(3-phenylcarbazol-9-yl)phenyl]carbazole
CID 58084668
12-phenyl-16-(3-phenylphenyl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 147944550
2-carbazol-9-yl-5-phenyl-7-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 134194417

Frequently Asked Questions

What is the IUPAC name of 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole (CID 154952653) is 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is c1ccc(-c2cc3cccc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8n(-c8ccccc8)c7cc65)c4)c3cc2-c2ccccc2)cc1.
What is the InChIKey of 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is DZOAWDGPSITUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2/c1-4-16-35(17-5-1)44-31-38-21-15-27-41(46(38)32-45(44)36-18-6-2-7-19-36)37-20-14-24-40(30-37)54-50-29-13-11-26-43(50)48-33-47-42-25-10-12-28-49(42)53(51(47)34-52(48)54)39-22-8-3-9-23-39/h1-34H.
What are the key properties of 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 686.86 g/mol, XLogP of 14.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(6,7-diphenylnaphthalen-1-yl)phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 154952653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).