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

C30H19N — CID 129208210

IUPAC9-(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
SMILESc1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3cccc5cccc-4c35)cc2)cc1
InChIInChI=1S/C30H19N/c1-2-8-20(9-3-1)21-16-18-23(19-17-21)31-27-15-5-4-12-24(27)29-25-13-6-10-22-11-7-14-26(28(22)25)30(29)31/h1-19H
InChIKeyDMRAZWACLIRGDF-UHFFFAOYSA-N
MW393.49 g/mol
LogP8.10
Rot. Bonds2

About 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

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 (PubChem CID 129208210) has the molecular formula C30H19N and a molecular weight of 393.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID129208210
Molecular FormulaC30H19N
Molecular Weight393.49 g/mol
Exact Mass393.15
IUPAC Name9-(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
SMILESc1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3cccc5cccc-4c35)cc2)cc1
InChIInChI=1S/C30H19N/c1-2-8-20(9-3-1)21-16-18-23(19-17-21)31-27-15-5-4-12-24(27)29-25-13-6-10-22-11-7-14-26(28(22)25)30(29)31/h1-19H
InChIKeyDMRAZWACLIRGDF-UHFFFAOYSA-N
XLogP8.10
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 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 with MolForge

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Related Compounds

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
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
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
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
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-[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
N-(4-carbazol-9-ylphenyl)-4-(8-phenylnaphthalen-1-yl)aniline
CID 169285498
N-phenyl-N-[3-(9-phenyl-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaen-6-yl)phenyl]naphthalen-1-amine
CID 129208279
N-(4-carbazol-9-ylphenyl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 168798243
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-dibenzofuran-2-yl-5-(9-phenylcarbazol-2-yl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
CID 129207881
6-dibenzofuran-2-yl-9-(3,5-diphenylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3(8),4,6,11,13,15(19),16-nonaene
CID 129208215

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-n3c4c(c5ccccc53)-c3cccc5cccc-4c35)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is DMRAZWACLIRGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N/c1-2-8-20(9-3-1)21-16-18-23(19-17-21)31-27-15-5-4-12-24(27)29-25-13-6-10-22-11-7-14-26(28(22)25)30(29)31/h1-19H.
What are the key properties of 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?
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 has a molecular weight of 393.49 g/mol, XLogP of 8.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129208210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).