(2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C74H64N2 — CID 145159746

IUPAC(2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC/C=C\C=C/CC.C=C/C=C\C=C(C)C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4Cc4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C59H40N2.C8H12.C7H12/c1-3-14-40(15-4-1)42-26-32-47(33-27-42)60(48-34-28-43(29-35-48)41-16-5-2-6-17-41)49-36-30-45(31-37-49)53-39-55-52-23-11-12-24-57(52)61(56-25-13-20-44-18-7-9-21-50(44)56)59(55)58-51-22-10-8-19-46(51)38-54(53)58;1-4-5-6-7-8(2)3;1-3-5-7-6-4-2/h1-37,39H,38H2;4-7H,1H2,2-3H3;3,5-7H,4H2,1-2H3/b;6-5-;5-3-,7-6-
InChIKeyGILDEUOYJHIXRZ-YCWWQNELSA-N
MW981.34 g/mol
LogP21.20
Rot. Bonds11

About (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

(2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 145159746) has the molecular formula C74H64N2 and a molecular weight of 981.34 g/mol. Its IUPAC name is (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name(2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID145159746
Molecular FormulaC74H64N2
Molecular Weight981.34 g/mol
Exact Mass980.51
IUPAC Name(2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESC/C=C\C=C/CC.C=C/C=C\C=C(C)C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4Cc4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C59H40N2.C8H12.C7H12/c1-3-14-40(15-4-1)42-26-32-47(33-27-42)60(48-34-28-43(29-35-48)41-16-5-2-6-17-41)49-36-30-45(31-37-49)53-39-55-52-23-11-12-24-57(52)61(56-25-13-20-44-18-7-9-21-50(44)56)59(55)58-51-22-10-8-19-46(51)38-54(53)58;1-4-5-6-7-8(2)3;1-3-5-7-6-4-2/h1-37,39H,38H2;4-7H,1H2,2-3H3;3,5-7H,4H2,1-2H3/b;6-5-;5-3-,7-6-
InChIKeyGILDEUOYJHIXRZ-YCWWQNELSA-N
XLogP21.20
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.34
LogP ≤ 521.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

3-chloro-N-phenyl-5-[4-(12-phenyl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;ethane
CID 142290518
4-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline;(3Z)-penta-1,3-diene
CID 143893585
ethane;(3Z)-6-methylhepta-1,3,5-triene;(3Z)-penta-1,3-diene;4-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,9-triphenyl-5,7,9,19-tetrazapentacyclo[10.7.0.03,10.04,8.013,18]nonadeca-1,3(10),4(8),6,11,13,15,17-octaen-19-yl)phenyl]aniline;prop-1-ene
CID 144645951
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 162491110
4-[(2Z,4Z)-hexa-2,4-dienyl]-N-(4-phenylphenyl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 155096737
N-[4-[3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;ethane;(3Z)-penta-1,3-diene
CID 145232511
N-[4-(3-carbazol-9-yl-4-phenylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-N-phenylaniline
CID 167003908
N-[4-[2-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]-N,2-diphenylaniline
CID 118103122
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(2-naphthalen-1-ylphenyl)phenyl]-4-phenylaniline
CID 167322510
N-(4-carbazol-9-ylphenyl)-N-[4-(5-pentacyclo[14.7.1.03,8.09,14.020,24]tetracosa-1(23),3(8),4,6,9,11,13,16,18,20(24),21-undecaenyl)phenyl]-4-phenylaniline
CID 129095714
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 145159746) is (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is C/C=C\C=C/CC.C=C/C=C\C=C(C)C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6ccccc6n(-c6cccc7ccccc67)c5c5c4Cc4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is GILDEUOYJHIXRZ-YCWWQNELSA-N. The full InChI is InChI=1S/C59H40N2.C8H12.C7H12/c1-3-14-40(15-4-1)42-26-32-47(33-27-42)60(48-34-28-43(29-35-48)41-16-5-2-6-17-41)49-36-30-45(31-37-49)53-39-55-52-23-11-12-24-57(52)61(56-25-13-20-44-18-7-9-21-50(44)56)59(55)58-51-22-10-8-19-46(51)38-54(53)58;1-4-5-6-7-8(2)3;1-3-5-7-6-4-2/h1-37,39H,38H2;4-7H,1H2,2-3H3;3,5-7H,4H2,1-2H3/b;6-5-;5-3-,7-6-.
What are the key properties of (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
(2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 981.34 g/mol, XLogP of 21.20, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-hepta-2,4-diene;(3Z)-6-methylhepta-1,3,5-triene;N-[4-(12-naphthalen-1-yl-7H-indeno[1,2-a]carbazol-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 145159746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).