17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

C37H24N2 — CID 130355687

IUPAC17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4cnccc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C37H24N2/c1-2-9-25(10-3-1)29-19-30(33-16-8-14-26-11-6-7-15-32(26)33)21-31(20-29)39-36-23-28-13-5-4-12-27(28)22-35(36)34-17-18-38-24-37(34)39/h1-24H
InChIKeyTXXSCEWCIGKUDR-UHFFFAOYSA-N
MW496.61 g/mol
LogP9.82
Rot. Bonds3

About 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene

17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (PubChem CID 130355687) has the molecular formula C37H24N2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.

Molecular Properties

Compound Name17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
PubChem CID130355687
Molecular FormulaC37H24N2
Molecular Weight496.61 g/mol
Exact Mass496.19
IUPAC Name17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
SMILESc1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4cnccc4c4cc5ccccc5cc43)c2)cc1
InChIInChI=1S/C37H24N2/c1-2-9-25(10-3-1)29-19-30(33-16-8-14-26-11-6-7-15-32(26)33)21-31(20-29)39-36-23-28-13-5-4-12-27(28)22-35(36)34-17-18-38-24-37(34)39/h1-24H
InChIKeyTXXSCEWCIGKUDR-UHFFFAOYSA-N
XLogP9.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene with MolForge

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Related Compounds

9-[4-[2-(4-phenylphenyl)-6-[4-[4-[3-[6-phenyl-4-[4-(4-pyrido[3,4-b]indol-9-ylphenyl)phenyl]-2-pyridinyl]phenyl]phenyl]phenyl]-4-pyridinyl]phenyl]pyrido[3,4-b]indole
CID 163966802
16-(3,5-diphenylphenyl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122465584
9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
5-[4-[4-[4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole;5-[4-[4-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[b]carbazole
CID 162025172
10,20-diphenyl-7,10,17,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 123184243
3-[4-[9-(3-naphthalen-1-yl-5-phenylphenyl)carbazol-3-yl]phenyl]-N,N-diphenylaniline
CID 118087606
9-[3-[6-[5-(10-naphthalen-2-ylanthracen-9-yl)-2-pyridinyl]-3-pyridinyl]-5-phenylphenyl]pyrido[3,4-b]indole
CID 58098992
3-bromo-9-[3-naphthalen-1-yl-5-(2-phenylphenyl)phenyl]carbazole
CID 118087614
3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123267685
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
CID 122465786

Frequently Asked Questions

What is the IUPAC name of 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The IUPAC name of 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene (CID 130355687) is 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene.
What is the SMILES notation for 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The canonical SMILES for 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is c1ccc(-c2cc(-c3cccc4ccccc34)cc(-n3c4cnccc4c4cc5ccccc5cc43)c2)cc1.
What is the InChIKey of 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
The InChIKey is TXXSCEWCIGKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N2/c1-2-9-25(10-3-1)29-19-30(33-16-8-14-26-11-6-7-15-32(26)33)21-31(20-29)39-36-23-28-13-5-4-12-27(28)22-35(36)34-17-18-38-24-37(34)39/h1-24H.
What are the key properties of 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene?
17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene has a molecular weight of 496.61 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(3-naphthalen-1-yl-5-phenylphenyl)-14,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene is sourced from PubChem (CID 130355687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).