(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne

C32H24N2 — CID 167114097

IUPAC(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
SMILESC1#CC2/C=C\C=C/C1c1ccccc1N2c1cccc(-n2c3c(c4ccccc42)CCC=C3)c1
InChIInChI=1S/C32H24N2/c1-2-11-24-21-20-23(10-1)27-14-3-6-17-30(27)33(24)25-12-9-13-26(22-25)34-31-18-7-4-15-28(31)29-16-5-8-19-32(29)34/h1-4,6-15,17-19,22-24H,5,16H2/b10-1-,11-2-
InChIKeyXPDMGHUTIGVNHM-YMPPUAGISA-N
MW436.56 g/mol
LogP7.32
Rot. Bonds2

About (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne

(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne (PubChem CID 167114097) has the molecular formula C32H24N2 and a molecular weight of 436.56 g/mol. Its IUPAC name is (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne.

Molecular Properties

Compound Name(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
PubChem CID167114097
Molecular FormulaC32H24N2
Molecular Weight436.56 g/mol
Exact Mass436.19
IUPAC Name(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
SMILESC1#CC2/C=C\C=C/C1c1ccccc1N2c1cccc(-n2c3c(c4ccccc42)CCC=C3)c1
InChIInChI=1S/C32H24N2/c1-2-11-24-21-20-23(10-1)27-14-3-6-17-30(27)33(24)25-12-9-13-26(22-25)34-31-18-7-4-15-28(31)29-16-5-8-19-32(29)34/h1-4,6-15,17-19,22-24H,5,16H2/b10-1-,11-2-
InChIKeyXPDMGHUTIGVNHM-YMPPUAGISA-N
XLogP7.32
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne with MolForge

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Related Compounds

(10Z,12Z)-8-(3-carbazol-9-ylphenyl)-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne
CID 126713256
3-[2-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-[3-(3,4-dihydrocarbazol-9-yl)phenyl]benzene-1,2-dicarbonitrile
CID 167280225
4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
9-[3-(1,3,5-triazin-2-yl)phenyl]-3,4-dihydrocarbazole
CID 175358566
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944
N-[4-[3-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenylaniline
CID 146356785
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
9-(6-triphenylen-2-ylnaphthalen-2-yl)-3,4-dihydrocarbazole
CID 123813680
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
2-(3,4-dihydrocarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 118983962

Frequently Asked Questions

What is the IUPAC name of (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?
The IUPAC name of (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne (CID 167114097) is (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne.
What is the SMILES notation for (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?
The canonical SMILES for (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne is C1#CC2/C=C\C=C/C1c1ccccc1N2c1cccc(-n2c3c(c4ccccc42)CCC=C3)c1.
What is the InChIKey of (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?
The InChIKey is XPDMGHUTIGVNHM-YMPPUAGISA-N. The full InChI is InChI=1S/C32H24N2/c1-2-11-24-21-20-23(10-1)27-14-3-6-17-30(27)33(24)25-12-9-13-26(22-25)34-31-18-7-4-15-28(31)29-16-5-8-19-32(29)34/h1-4,6-15,17-19,22-24H,5,16H2/b10-1-,11-2-.
What are the key properties of (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne?
(10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne has a molecular weight of 436.56 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12Z)-8-[3-(3,4-dihydrocarbazol-9-yl)phenyl]-8-azatricyclo[7.4.2.02,7]pentadeca-2,4,6,10,12-pentaen-14-yne is sourced from PubChem (CID 167114097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).