4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline

C59H46N2 — CID 167195787

IUPAC4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC=C/C=C\C(=C/C)c1ccc(-c2ccc(N(C3=CC(c4cccc5c4c4ccccc4n5-c4ccccc4)CC=C3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-3-5-15-42(4-2)44-26-28-45(29-27-44)46-32-36-52(37-33-46)60(53-38-34-47(35-39-53)49-31-30-43-16-9-10-17-48(43)40-49)54-21-13-18-50(41-54)55-23-14-25-58-59(55)56-22-11-12-24-57(56)61(58)51-19-7-6-8-20-51/h3-17,19-41,50H,1,18H2,2H3/b15-5-,42-4+
InChIKeyBNTAISUHSZOVKM-XKPJCFDPSA-N
MW783.03 g/mol
LogP16.18
Rot. Bonds10

About 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline

4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 167195787) has the molecular formula C59H46N2 and a molecular weight of 783.03 g/mol. Its IUPAC name is 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound Name4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID167195787
Molecular FormulaC59H46N2
Molecular Weight783.03 g/mol
Exact Mass782.37
IUPAC Name4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline
SMILESC=C/C=C\C(=C/C)c1ccc(-c2ccc(N(C3=CC(c4cccc5c4c4ccccc4n5-c4ccccc4)CC=C3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1
InChIInChI=1S/C59H46N2/c1-3-5-15-42(4-2)44-26-28-45(29-27-44)46-32-36-52(37-33-46)60(53-38-34-47(35-39-53)49-31-30-43-16-9-10-17-48(43)40-49)54-21-13-18-50(41-54)55-23-14-25-58-59(55)56-22-11-12-24-57(56)61(58)51-19-7-6-8-20-51/h3-17,19-41,50H,1,18H2,2H3/b15-5-,42-4+
InChIKeyBNTAISUHSZOVKM-XKPJCFDPSA-N
XLogP16.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.03
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline with MolForge

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
3-[9-(3,5-diphenylphenyl)-6-phenylcarbazol-3-yl]-6-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-9-(3-phenylphenyl)carbazole
CID 156510418
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
16-[9-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]carbazol-3-yl]-13-phenyl-9-oxa-1,11,13-triazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646475
N-[4-[3-naphthalen-2-yl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 176878181
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-4-amine
CID 174258250
4-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]aniline
CID 59489386
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
4-(3-carbazol-9-ylphenyl)-N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 146578444

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline (CID 167195787) is 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline is C=C/C=C\C(=C/C)c1ccc(-c2ccc(N(C3=CC(c4cccc5c4c4ccccc4n5-c4ccccc4)CC=C3)c3ccc(-c4ccc5ccccc5c4)cc3)cc2)cc1.
What is the InChIKey of 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is BNTAISUHSZOVKM-XKPJCFDPSA-N. The full InChI is InChI=1S/C59H46N2/c1-3-5-15-42(4-2)44-26-28-45(29-27-44)46-32-36-52(37-33-46)60(53-38-34-47(35-39-53)49-31-30-43-16-9-10-17-48(43)40-49)54-21-13-18-50(41-54)55-23-14-25-58-59(55)56-22-11-12-24-57(56)61(58)51-19-7-6-8-20-51/h3-17,19-41,50H,1,18H2,2H3/b15-5-,42-4+.
What are the key properties of 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline?
4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 783.03 g/mol, XLogP of 16.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]phenyl]-N-(4-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 167195787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).