11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole

C52H36N2 — CID 130184198

IUPAC11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
SMILESC1=CCCC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc(-c4ccccc4)c4ccccc4c3)c2)=C1
InChIInChI=1S/C52H36N2/c1-4-16-35(17-5-1)39-28-40(36-18-6-2-7-19-36)31-41(30-39)53-49-26-14-12-24-44(49)47-34-52-48(33-51(47)53)45-25-13-15-27-50(45)54(52)42-29-38-22-10-11-23-43(38)46(32-42)37-20-8-3-9-21-37/h1-6,8-18,20-34H,7,19H2
InChIKeyATERBGKBZPZBBG-UHFFFAOYSA-N
MW688.87 g/mol
LogP14.10
Rot. Bonds5

About 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole

11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole (PubChem CID 130184198) has the molecular formula C52H36N2 and a molecular weight of 688.87 g/mol. Its IUPAC name is 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
PubChem CID130184198
Molecular FormulaC52H36N2
Molecular Weight688.87 g/mol
Exact Mass688.29
IUPAC Name11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
SMILESC1=CCCC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc(-c4ccccc4)c4ccccc4c3)c2)=C1
InChIInChI=1S/C52H36N2/c1-4-16-35(17-5-1)39-28-40(36-18-6-2-7-19-36)31-41(30-39)53-49-26-14-12-24-44(49)47-34-52-48(33-51(47)53)45-25-13-15-27-50(45)54(52)42-29-38-22-10-11-23-43(38)46(32-42)37-20-8-3-9-21-37/h1-6,8-18,20-34H,7,19H2
InChIKeyATERBGKBZPZBBG-UHFFFAOYSA-N
XLogP14.10
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.87
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-[3-(3-cyclohexa-1,3-dien-1-yl-4-phenylphenyl)-4-phenylphenyl]carbazole
CID 168762802
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
2-(3-carbazol-9-ylcarbazol-9-yl)-9-(2-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)carbazole
CID 170375447
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole
CID 161361766
9-[3-carbazol-9-yl-5-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-(3-carbazol-9-yl-5-phenanthren-9-ylphenyl)carbazole;9-[3-(4-carbazol-9-ylphenyl)-5-(4-phenylphenyl)phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159689143
9-[3,5-di(phenanthren-9-yl)phenyl]-3,6-bis(4-phenylphenyl)carbazole;ethane
CID 144963563
9-(3,5-diphenylphenyl)carbazole
CID 86068368
12-[3,5-bis(4-phenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(3,5-diphenylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-(4-naphthalen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-(4-phenylnaphthalen-2-yl)indolo[2,3-a]carbazole;7-phenyl-5-(4-phenylnaphthalen-2-yl)indolo[2,3-b]carbazole
CID 159686435
9-[3-(4-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-19-phenyl-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaene
CID 166702950
cyclohexa-1,3-dien-1-yl-[3-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-diphenyl-λ4-sulfane
CID 170077893
9-[3-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenanthren-9-ylphenyl]carbazole
CID 139500830
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280

Frequently Asked Questions

What is the IUPAC name of 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole?
The IUPAC name of 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole (CID 130184198) is 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole.
What is the SMILES notation for 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole?
The canonical SMILES for 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole is C1=CCCC(c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3cc(-c4ccccc4)c4ccccc4c3)c2)=C1.
What is the InChIKey of 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole?
The InChIKey is ATERBGKBZPZBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2/c1-4-16-35(17-5-1)39-28-40(36-18-6-2-7-19-36)31-41(30-39)53-49-26-14-12-24-44(49)47-34-52-48(33-51(47)53)45-25-13-15-27-50(45)54(52)42-29-38-22-10-11-23-43(38)46(32-42)37-20-8-3-9-21-37/h1-6,8-18,20-34H,7,19H2.
What are the key properties of 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole?
11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole has a molecular weight of 688.87 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3-cyclohexa-1,3-dien-1-yl-5-phenylphenyl)-5-(4-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole is sourced from PubChem (CID 130184198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).