12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

C46H30N2 — CID 142481953

IUPAC12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cc2)cc1
InChIInChI=1S/C46H30N2/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)47-43-19-8-6-16-39(43)41-29-30-42-40-17-7-9-20-44(40)48(46(42)45(41)47)36-27-23-34(24-28-36)38-18-10-14-33-13-4-5-15-37(33)38/h1-30H
InChIKeyBNPGBOUIZMHGSW-UHFFFAOYSA-N
MW610.76 g/mol
LogP12.37
Rot. Bonds4

About 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole

12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (PubChem CID 142481953) has the molecular formula C46H30N2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.

Molecular Properties

Compound Name12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
PubChem CID142481953
Molecular FormulaC46H30N2
Molecular Weight610.76 g/mol
Exact Mass610.24
IUPAC Name12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cc2)cc1
InChIInChI=1S/C46H30N2/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)47-43-19-8-6-16-39(43)41-29-30-42-40-17-7-9-20-44(40)48(46(42)45(41)47)36-27-23-34(24-28-36)38-18-10-14-33-13-4-5-15-37(33)38/h1-30H
InChIKeyBNPGBOUIZMHGSW-UHFFFAOYSA-N
XLogP12.37
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 512.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(4-naphthalen-1-ylphenyl)-6-[4-(4-phenylphenyl)phenyl]-2-pyridinyl]phenyl]-9-phenylcarbazole
CID 161458696
3,24-bis(4-phenylphenyl)-3,24-diazahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 146253558
11-phenyl-12-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 118501913
12-(4-carbazol-9-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 134252991
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
23-(4-naphthalen-1-ylphenyl)-12-phenyl-12,23-diazahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene
CID 170180127
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169036930
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
2-(3-carbazol-9-ylphenyl)-9-(4-naphthalen-1-ylphenyl)carbazole
CID 144560197
N-[4-(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-dodecaen-9-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 140913706
12-[4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)phenyl]phenyl]-11-phenylindolo[2,3-a]carbazole
CID 155240392
4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene
CID 118564873

Frequently Asked Questions

What is the IUPAC name of 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The IUPAC name of 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole (CID 142481953) is 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole.
What is the SMILES notation for 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The canonical SMILES for 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccc(-c7cccc8ccccc78)cc6)c5c43)cc2)cc1.
What is the InChIKey of 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
The InChIKey is BNPGBOUIZMHGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N2/c1-2-11-31(12-3-1)32-21-25-35(26-22-32)47-43-19-8-6-16-39(43)41-29-30-42-40-17-7-9-20-44(40)48(46(42)45(41)47)36-27-23-34(24-28-36)38-18-10-14-33-13-4-5-15-37(33)38/h1-30H.
What are the key properties of 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole?
12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole has a molecular weight of 610.76 g/mol, XLogP of 12.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-naphthalen-1-ylphenyl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole is sourced from PubChem (CID 142481953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).