5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole

C126H81N3 — CID 159012701

IUPAC5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccccc4c32)cc1
InChIInChI=1S/3C42H27N/c1-2-16-31(17-3-1)43-41-24-11-10-22-36(41)40-27-39(35-21-8-9-23-37(35)42(40)43)29-15-12-14-28(25-29)38-26-30-13-4-5-18-32(30)33-19-6-7-20-34(33)38;1-2-11-33(12-3-1)43-41-17-9-8-15-36(41)40-27-39(35-14-6-7-16-37(35)42(40)43)31-20-18-28(19-21-31)32-25-24-30-23-22-29-10-4-5-13-34(29)38(30)26-32;1-2-11-33(12-3-1)43-41-17-9-8-15-37(41)40-27-39(36-14-6-7-16-38(36)42(40)43)30-20-18-28(19-21-30)31-24-25-35-32(26-31)23-22-29-10-4-5-13-34(29)35/h3*1-27H
InChIKeyJSRRQFDAJHPONK-UHFFFAOYSA-N
MW1637.06 g/mol
LogP34.73
Rot. Bonds9

About 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole

5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole (PubChem CID 159012701) has the molecular formula C126H81N3 and a molecular weight of 1637.06 g/mol. Its IUPAC name is 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole.

Molecular Properties

Compound Name5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole
PubChem CID159012701
Molecular FormulaC126H81N3
Molecular Weight1637.06 g/mol
Exact Mass1635.64
IUPAC Name5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccccc4c32)cc1
InChIInChI=1S/3C42H27N/c1-2-16-31(17-3-1)43-41-24-11-10-22-36(41)40-27-39(35-21-8-9-23-37(35)42(40)43)29-15-12-14-28(25-29)38-26-30-13-4-5-18-32(30)33-19-6-7-20-34(33)38;1-2-11-33(12-3-1)43-41-17-9-8-15-36(41)40-27-39(35-14-6-7-16-37(35)42(40)43)31-20-18-28(19-21-31)32-25-24-30-23-22-29-10-4-5-13-34(29)38(30)26-32;1-2-11-33(12-3-1)43-41-17-9-8-15-37(41)40-27-39(36-14-6-7-16-38(36)42(40)43)30-20-18-28(19-21-30)31-24-25-35-32(26-31)23-22-29-10-4-5-13-34(29)35/h3*1-27H
InChIKeyJSRRQFDAJHPONK-UHFFFAOYSA-N
XLogP34.73
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms129
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001637.06
LogP ≤ 534.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(9,10-diphenylanthracen-2-yl)-11-phenylbenzo[a]carbazole;5-[4-(3,10-diphenylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole;5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-11-phenylbenzo[a]carbazole
CID 158978981
2,11-diphenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[a]carbazole;3-naphthalen-2-yl-11-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]benzo[a]carbazole;11-phenyl-5-[4-(10-phenylanthracen-9-yl)phenyl]-4-(3-phenylphenyl)benzo[a]carbazole
CID 161030917
11-phenyl-8-(11-phenylbenzo[a]carbazol-8-yl)naphtho[2,1-a]carbazole
CID 130233283
4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-benzo[a]carbazol-11-ylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(5,8-diphenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 161328307
9-naphthalen-1-yl-3-(4-naphthalen-1-ylphenyl)carbazole;3-(3-phenanthren-9-ylphenyl)-9-phenylcarbazole;9-phenyl-3-(3-triphenylen-2-ylphenyl)carbazole
CID 159394605
3-(3,5-diphenylphenyl)-10-(3-phenanthren-2-ylphenyl)pyrrolo[3,2-a]carbazole
CID 118315497
N-(4-naphthalen-1-ylphenyl)-N-(4-phenanthren-9-ylphenyl)-4-(11-phenylbenzo[a]carbazol-9-yl)aniline
CID 168782181
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
3-(4-phenanthren-3-ylphenyl)-9-phenylcarbazole
CID 88569888
2-phenanthren-9-yl-7-(4-phenylphenyl)benzo[c]carbazole
CID 130351286
2-(4-chrysen-6-ylphenyl)-9-phenyl-6-(21-phenyl-10-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8(13),9,11,15,17,19,21-undecaenyl)carbazole
CID 137458851
4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;4-(4-benzo[a]carbazol-11-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline;4-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline;N-phenyl-N-[4-[4-(5-phenylbenzo[a]carbazol-11-yl)phenyl]phenyl]-4-(4-phenylphenyl)aniline
CID 161282085

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole?
The IUPAC name of 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole (CID 159012701) is 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole.
What is the SMILES notation for 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole?
The canonical SMILES for 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(ccc7ccccc76)c5)cc4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccccc4c32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)c4ccccc4c32)cc1.
What is the InChIKey of 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole?
The InChIKey is JSRRQFDAJHPONK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C42H27N/c1-2-16-31(17-3-1)43-41-24-11-10-22-36(41)40-27-39(35-21-8-9-23-37(35)42(40)43)29-15-12-14-28(25-29)38-26-30-13-4-5-18-32(30)33-19-6-7-20-34(33)38;1-2-11-33(12-3-1)43-41-17-9-8-15-36(41)40-27-39(35-14-6-7-16-37(35)42(40)43)31-20-18-28(19-21-31)32-25-24-30-23-22-29-10-4-5-13-34(29)38(30)26-32;1-2-11-33(12-3-1)43-41-17-9-8-15-37(41)40-27-39(36-14-6-7-16-38(36)42(40)43)30-20-18-28(19-21-30)31-24-25-35-32(26-31)23-22-29-10-4-5-13-34(29)35/h3*1-27H.
What are the key properties of 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole?
5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole has a molecular weight of 1637.06 g/mol, XLogP of 34.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenanthren-9-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-2-ylphenyl)-11-phenylbenzo[a]carbazole;5-(4-phenanthren-3-ylphenyl)-11-phenylbenzo[a]carbazole is sourced from PubChem (CID 159012701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).