(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine

C48H37N3 — CID 174254357

IUPAC(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine
SMILESC=C/C=C\C=C/N(c1ccc(-c2ccccc2)cc1)c1ccc2c3c4c(ccc3n(-c3ccccc3)c2c1)N(c1ccccc1)/C=C\C=C/C4=C
InChIInChI=1S/C48H37N3/c1-3-4-5-16-33-49(40-27-25-38(26-28-40)37-19-9-6-10-20-37)42-29-30-43-46(35-42)51(41-23-13-8-14-24-41)45-32-31-44-47(48(43)45)36(2)18-15-17-34-50(44)39-21-11-7-12-22-39/h3-35H,1-2H2/b5-4-,18-15-,33-16-,34-17-
InChIKeyVPEOTCZLOZUURO-TZMWFJMVSA-N
MW655.85 g/mol
LogP13.08
Rot. Bonds8

About (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine

(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine (PubChem CID 174254357) has the molecular formula C48H37N3 and a molecular weight of 655.85 g/mol. Its IUPAC name is (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine.

Molecular Properties

Compound Name(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine
PubChem CID174254357
Molecular FormulaC48H37N3
Molecular Weight655.85 g/mol
Exact Mass655.30
IUPAC Name(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine
SMILESC=C/C=C\C=C/N(c1ccc(-c2ccccc2)cc1)c1ccc2c3c4c(ccc3n(-c3ccccc3)c2c1)N(c1ccccc1)/C=C\C=C/C4=C
InChIInChI=1S/C48H37N3/c1-3-4-5-16-33-49(40-27-25-38(26-28-40)37-19-9-6-10-20-37)42-29-30-43-46(35-42)51(41-23-13-8-14-24-41)45-32-31-44-47(48(43)45)36(2)18-15-17-34-50(44)39-21-11-7-12-22-39/h3-35H,1-2H2/b5-4-,18-15-,33-16-,34-17-
InChIKeyVPEOTCZLOZUURO-TZMWFJMVSA-N
XLogP13.08
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.85
LogP ≤ 513.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine with MolForge

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Related Compounds

3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 144578956
(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine
CID 118228168
(20Z,22Z)-24-methylidene-19-(3-prop-2-enylphenyl)-15-oxa-8,19-diazahexacyclo[14.9.1.02,7.08,26.09,14.018,25]hexacosa-1(25),2,4,6,9,11,13,16(26),17,20,22-undecaene
CID 145326909
(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
CID 144650904
ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
N-[4-[(3Z,5Z)-7-methylidene-2H-1-benzothionin-11-yl]phenyl]-5-phenyl-N-(4-phenylphenyl)-[1]benzothiolo[2,3-g]carbazol-3-amine
CID 118486923
9-(2,5-diphenylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 170352987
N-methyl-2-methylidene-7-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-1-phenyl-N-(2-phenylphenyl)-4,5-dihydro-3H-1-benzazepin-5-amine
CID 156642968
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N,9-diphenyl-5-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169009789

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine?
The IUPAC name of (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine (CID 174254357) is (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine.
What is the SMILES notation for (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine?
The canonical SMILES for (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine is C=C/C=C\C=C/N(c1ccc(-c2ccccc2)cc1)c1ccc2c3c4c(ccc3n(-c3ccccc3)c2c1)N(c1ccccc1)/C=C\C=C/C4=C.
What is the InChIKey of (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine?
The InChIKey is VPEOTCZLOZUURO-TZMWFJMVSA-N. The full InChI is InChI=1S/C48H37N3/c1-3-4-5-16-33-49(40-27-25-38(26-28-40)37-19-9-6-10-20-37)42-29-30-43-46(35-42)51(41-23-13-8-14-24-41)45-32-31-44-47(48(43)45)36(2)18-15-17-34-50(44)39-21-11-7-12-22-39/h3-35H,1-2H2/b5-4-,18-15-,33-16-,34-17-.
What are the key properties of (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine?
(4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine has a molecular weight of 655.85 g/mol, XLogP of 13.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-N-[(1Z,3Z)-hexa-1,3,5-trienyl]-3-methylidene-8,13-diphenyl-N-(4-phenylphenyl)-8,13-diazatetracyclo[10.7.0.02,9.014,19]nonadeca-1(12),2(9),4,6,10,14(19),15,17-octaen-16-amine is sourced from PubChem (CID 174254357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).