9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile

C81H47N5 — CID 157324768

IUPAC9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3cc4ccc5cc(-c6ccccc6)cc6ccc(c3)c4c56)ccc1n2-c1ccccc1.N#Cc1ccc2c(c1)c1cc(-c3cc4ccc5cc(-c6cccnc6)cc6ccc(c3)c4c56)ccc1n2-c1ccccc1
InChIInChI=1S/C41H24N2.C40H23N3/c42-25-26-11-17-38-36(19-26)37-24-28(16-18-39(37)43(38)35-9-5-2-6-10-35)34-22-31-14-12-29-20-33(27-7-3-1-4-8-27)21-30-13-15-32(23-34)41(31)40(29)30;41-23-25-8-14-37-35(17-25)36-22-26(13-15-38(36)43(37)34-6-2-1-3-7-34)32-18-27-9-11-29-20-33(31-5-4-16-42-24-31)21-30-12-10-28(19-32)39(27)40(29)30/h1-24H;1-22,24H
InChIKeyBEOWMKWAIJYCTJ-UHFFFAOYSA-N
MW1090.30 g/mol
LogP21.17
Rot. Bonds6

About 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile

9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile (PubChem CID 157324768) has the molecular formula C81H47N5 and a molecular weight of 1090.30 g/mol. Its IUPAC name is 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
PubChem CID157324768
Molecular FormulaC81H47N5
Molecular Weight1090.30 g/mol
Exact Mass1089.38
IUPAC Name9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3cc4ccc5cc(-c6ccccc6)cc6ccc(c3)c4c56)ccc1n2-c1ccccc1.N#Cc1ccc2c(c1)c1cc(-c3cc4ccc5cc(-c6cccnc6)cc6ccc(c3)c4c56)ccc1n2-c1ccccc1
InChIInChI=1S/C41H24N2.C40H23N3/c42-25-26-11-17-38-36(19-26)37-24-28(16-18-39(37)43(38)35-9-5-2-6-10-35)34-22-31-14-12-29-20-33(27-7-3-1-4-8-27)21-30-13-15-32(23-34)41(31)40(29)30;41-23-25-8-14-37-35(17-25)36-22-26(13-15-38(36)43(37)34-6-2-1-3-7-34)32-18-27-9-11-29-20-33(31-5-4-16-42-24-31)21-30-12-10-28(19-32)39(27)40(29)30/h1-24H;1-22,24H
InChIKeyBEOWMKWAIJYCTJ-UHFFFAOYSA-N
XLogP21.17
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.30
LogP ≤ 521.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
3,9-diphenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-3-ylphenyl)carbazole
CID 160711176
4-[9-[2-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-pyridin-3-ylphenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 138663207
4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 118632433
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
CID 160501974
9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-3-ylphenyl]carbazole-3,6-dicarbonitrile
CID 138579059
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
3,6-bis(4-naphthalen-2-ylphenyl)-9-pyridin-3-ylcarbazole
CID 177074748
9-[6-(3,6-dicyanocarbazol-9-yl)-9,10-dipyridin-3-ylanthracen-2-yl]carbazole-3,6-dicarbonitrile
CID 89064655

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile?
The IUPAC name of 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile (CID 157324768) is 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile.
What is the SMILES notation for 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile?
The canonical SMILES for 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3cc4ccc5cc(-c6ccccc6)cc6ccc(c3)c4c56)ccc1n2-c1ccccc1.N#Cc1ccc2c(c1)c1cc(-c3cc4ccc5cc(-c6cccnc6)cc6ccc(c3)c4c56)ccc1n2-c1ccccc1.
What is the InChIKey of 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile?
The InChIKey is BEOWMKWAIJYCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H24N2.C40H23N3/c42-25-26-11-17-38-36(19-26)37-24-28(16-18-39(37)43(38)35-9-5-2-6-10-35)34-22-31-14-12-29-20-33(27-7-3-1-4-8-27)21-30-13-15-32(23-34)41(31)40(29)30;41-23-25-8-14-37-35(17-25)36-22-26(13-15-38(36)43(37)34-6-2-1-3-7-34)32-18-27-9-11-29-20-33(31-5-4-16-42-24-31)21-30-12-10-28(19-32)39(27)40(29)30/h1-24H;1-22,24H.
What are the key properties of 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile?
9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile has a molecular weight of 1090.30 g/mol, XLogP of 21.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-(7-phenylpyren-2-yl)carbazole-3-carbonitrile;9-phenyl-6-(7-pyridin-3-ylpyren-2-yl)carbazole-3-carbonitrile is sourced from PubChem (CID 157324768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).