9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile

C43H23N5 — CID 58835662

IUPAC9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2nc3c4cccc5ccc6cccc(c6c54)c3n2-c2ccccc2)cc1
InChIInChI=1S/C43H23N5/c44-24-26-12-20-37-35(22-26)36-23-27(25-45)13-21-38(36)47(37)32-18-16-30(17-19-32)43-46-41-33-10-4-6-28-14-15-29-7-5-11-34(40(29)39(28)33)42(41)48(43)31-8-2-1-3-9-31/h1-23H
InChIKeyQAKQEWKQDUGWHE-UHFFFAOYSA-N
MW609.69 g/mol
LogP10.43
Rot. Bonds3

About 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile

9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile (PubChem CID 58835662) has the molecular formula C43H23N5 and a molecular weight of 609.69 g/mol. Its IUPAC name is 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile.

Molecular Properties

Compound Name9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile
PubChem CID58835662
Molecular FormulaC43H23N5
Molecular Weight609.69 g/mol
Exact Mass609.20
IUPAC Name9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2nc3c4cccc5ccc6cccc(c6c54)c3n2-c2ccccc2)cc1
InChIInChI=1S/C43H23N5/c44-24-26-12-20-37-35(22-26)36-23-27(25-45)13-21-38(36)47(37)32-18-16-30(17-19-32)43-46-41-33-10-4-6-28-14-15-29-7-5-11-34(40(29)39(28)33)42(41)48(43)31-8-2-1-3-9-31/h1-23H
InChIKeyQAKQEWKQDUGWHE-UHFFFAOYSA-N
XLogP10.43
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.69
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile with MolForge

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Related Compounds

4-[14-(4-cyanophenyl)-5,15-diphenyl-3,5,13,15-tetrazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(21),2(6),3,7,9,11(22),12(16),13,17,19-decaen-4-yl]benzonitrile
CID 89057621
4-(5,15-diphenyl-3,5,13,15-tetrazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-1(21),2(6),3,7,9,11(22),12(16),13,17,19-decaen-4-yl)benzonitrile
CID 143388935
6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
N-phenyl-N-[4-(4-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),4,7,9,11(19),12,14(18),15-nonaen-3-yl)phenyl]naphthalen-2-amine
CID 58835685
4-[4-[2-[4-(N-phenylanilino)phenyl]phenanthro[9,10-d]imidazol-3-yl]phenyl]benzonitrile
CID 132513511
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
9-phenyl-6-(22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaen-18-yl)carbazole-3-carbonitrile
CID 129311459
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
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
CID 139351890
4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)carbazol-9-yl]benzonitrile
CID 146617362

Frequently Asked Questions

What is the IUPAC name of 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
The IUPAC name of 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile (CID 58835662) is 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile.
What is the SMILES notation for 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
The canonical SMILES for 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile is N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccc(-c2nc3c4cccc5ccc6cccc(c6c54)c3n2-c2ccccc2)cc1.
What is the InChIKey of 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
The InChIKey is QAKQEWKQDUGWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H23N5/c44-24-26-12-20-37-35(22-26)36-23-27(25-45)13-21-38(36)47(37)32-18-16-30(17-19-32)43-46-41-33-10-4-6-28-14-15-29-7-5-11-34(40(29)39(28)33)42(41)48(43)31-8-2-1-3-9-31/h1-23H.
What are the key properties of 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile?
9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile has a molecular weight of 609.69 g/mol, XLogP of 10.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(5-phenyl-3,5-diazapentacyclo[9.6.2.02,6.07,19.014,18]nonadeca-1(17),2(6),3,7,9,11(19),12,14(18),15-nonaen-4-yl)phenyl]carbazole-3,6-dicarbonitrile is sourced from PubChem (CID 58835662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).