(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene

C42H30N2 — CID 118312773

IUPAC(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
SMILESC=C1/C=C\c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)N(c2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C42H30N2/c1-30-20-29-39-38-17-9-11-19-41(38)44(36-27-23-34(24-28-36)32-14-6-3-7-15-32)42(39)43(40-18-10-8-16-37(30)40)35-25-21-33(22-26-35)31-12-4-2-5-13-31/h2-29H,1H2/b29-20-
InChIKeyLSMHSYWUWLXZMT-BRPDVVIDSA-N
MW562.72 g/mol
LogP11.47
Rot. Bonds4

About (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene

(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene (PubChem CID 118312773) has the molecular formula C42H30N2 and a molecular weight of 562.72 g/mol. Its IUPAC name is (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene.

Molecular Properties

Compound Name(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
PubChem CID118312773
Molecular FormulaC42H30N2
Molecular Weight562.72 g/mol
Exact Mass562.24
IUPAC Name(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene
SMILESC=C1/C=C\c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)N(c2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C42H30N2/c1-30-20-29-39-38-17-9-11-19-41(38)44(36-27-23-34(24-28-36)32-14-6-3-7-15-32)42(39)43(40-18-10-8-16-37(30)40)35-25-21-33(22-26-35)31-12-4-2-5-13-31/h2-29H,1H2/b29-20-
InChIKeyLSMHSYWUWLXZMT-BRPDVVIDSA-N
XLogP11.47
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene with MolForge

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Related Compounds

(1Z,3Z)-1-(3,5-diphenylphenyl)-5-[(10Z)-9-methylidene-19-phenyl-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaen-2-yl]penta-1,3-dien-1-amine
CID 129209452
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
13-[4-[4-(4-oxa-13-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaen-13-yl)phenyl]phenyl]-4-oxa-13-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2,5,7,9,11,14,16-octaene
CID 22960204
3-[(2Z,4E)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-4-yl]-9-phenylcarbazole
CID 129022065
2-methylidene-1,3-bis(4-phenylphenyl)quinazolin-4-one
CID 156568699
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590343
ethane;2-[9-(2-phenylphenyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142314929

Frequently Asked Questions

What is the IUPAC name of (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
The IUPAC name of (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene (CID 118312773) is (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene.
What is the SMILES notation for (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
The canonical SMILES for (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene is C=C1/C=C\c2c(n(-c3ccc(-c4ccccc4)cc3)c3ccccc23)N(c2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
The InChIKey is LSMHSYWUWLXZMT-BRPDVVIDSA-N. The full InChI is InChI=1S/C42H30N2/c1-30-20-29-39-38-17-9-11-19-41(38)44(36-27-23-34(24-28-36)32-14-6-3-7-15-32)42(39)43(40-18-10-8-16-37(30)40)35-25-21-33(22-26-35)31-12-4-2-5-13-31/h2-29H,1H2/b29-20-.
What are the key properties of (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene?
(10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene has a molecular weight of 562.72 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-9-methylidene-2,19-bis(4-phenylphenyl)-2,19-diazatetracyclo[10.7.0.03,8.013,18]nonadeca-1(12),3,5,7,10,13,15,17-octaene is sourced from PubChem (CID 118312773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).