9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene

C25H17N — CID 177491803

IUPAC9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
SMILESCc1ccc(-n2c3c(c4ccccc42)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C25H17N/c1-16-12-14-18(15-13-16)26-22-11-3-2-8-19(22)24-20-9-4-6-17-7-5-10-21(23(17)20)25(24)26/h2-15H,1H3
InChIKeyJMEIIMKYVLZZAE-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.74
Rot. Bonds1

About 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene

9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene (PubChem CID 177491803) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene.

Molecular Properties

Compound Name9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
PubChem CID177491803
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
SMILESCc1ccc(-n2c3c(c4ccccc42)-c2cccc4cccc-3c24)cc1
InChIInChI=1S/C25H17N/c1-16-12-14-18(15-13-16)26-22-11-3-2-8-19(22)24-20-9-4-6-17-7-5-10-21(23(17)20)25(24)26/h2-15H,1H3
InChIKeyJMEIIMKYVLZZAE-UHFFFAOYSA-N
XLogP6.74
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene with MolForge

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Related Compounds

9-(4-phenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 129208210
fluoranthene;15-fluoranthen-8-yl-30-methyl-15,30-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.024,29]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,24,26,28-tetradecaene
CID 145241631
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
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
15,24-dinaphthalen-2-yl-15,24-diazaheptacyclo[21.7.0.02,7.08,16.09,14.017,22.025,30]triaconta-1(23),2,4,6,8(16),9,11,13,17,19,21,25,27,29-tetradecaene
CID 145241644
1-(4-methylphenyl)-2-naphthalen-1-ylindole
CID 177416658
23-[4-(10-phenylanthracen-9-yl)phenyl]-23-azahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaene
CID 155429764
2-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]benzene-1,3-dicarbonitrile
CID 122433645
4-[9-(4-phenylphenyl)carbazol-3-yl]-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 118565132
methylphosphane;8-phenyl-22-[4-[4-(8-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaen-22-yl)phenyl]phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 145004152
5-(4-phenylphenyl)-5-azaheptacyclo[19.7.1.02,14.04,12.06,11.015,20.025,29]nonacosa-1(28),2(14),3,6,8,10,12,15,17,19,21,23,25(29),26-tetradecaene
CID 155771619
4-(10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaen-10-yl)aniline
CID 144751191

Frequently Asked Questions

What is the IUPAC name of 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene?
The IUPAC name of 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene (CID 177491803) is 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene.
What is the SMILES notation for 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene?
The canonical SMILES for 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene is Cc1ccc(-n2c3c(c4ccccc42)-c2cccc4cccc-3c24)cc1.
What is the InChIKey of 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene?
The InChIKey is JMEIIMKYVLZZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N/c1-16-12-14-18(15-13-16)26-22-11-3-2-8-19(22)24-20-9-4-6-17-7-5-10-21(23(17)20)25(24)26/h2-15H,1H3.
What are the key properties of 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene?
9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene has a molecular weight of 331.42 g/mol, XLogP of 6.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene is sourced from PubChem (CID 177491803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).