N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline

C78H57N3 — CID 58536424

IUPACN-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=c1\c(=C)n(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(N(/C(C=C)=C/C=C/c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)cc5)ccc43)cc2)c2ccccc12
InChIInChI=1S/C78H57N3/c1-4-17-72-55(3)79(76-26-14-12-24-73(72)76)68-49-51-71(52-50-68)81-77-27-15-13-25-74(77)75-54-66(44-53-78(75)81)65-38-36-62(37-39-65)64-42-47-70(48-43-64)80(67(5-2)23-16-18-56-28-30-59(31-29-56)57-19-8-6-9-20-57)69-45-40-63(41-46-69)61-34-32-60(33-35-61)58-21-10-7-11-22-58/h4-54H,1-3H2/b18-16+,67-23+,72-17+
InChIKeyIUYFVJVIEAQYEJ-QEAMAFDKSA-N
MW1036.34 g/mol
LogP19.36
Rot. Bonds14

About N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline

N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline (PubChem CID 58536424) has the molecular formula C78H57N3 and a molecular weight of 1036.34 g/mol. Its IUPAC name is N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline.

Molecular Properties

Compound NameN-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline
PubChem CID58536424
Molecular FormulaC78H57N3
Molecular Weight1036.34 g/mol
Exact Mass1035.46
IUPAC NameN-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline
SMILESC=C/C=c1\c(=C)n(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(N(/C(C=C)=C/C=C/c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)cc5)ccc43)cc2)c2ccccc12
InChIInChI=1S/C78H57N3/c1-4-17-72-55(3)79(76-26-14-12-24-73(72)76)68-49-51-71(52-50-68)81-77-27-15-13-25-74(77)75-54-66(44-53-78(75)81)65-38-36-62(37-39-65)64-42-47-70(48-43-64)80(67(5-2)23-16-18-56-28-30-59(31-29-56)57-19-8-6-9-20-57)69-45-40-63(41-46-69)61-34-32-60(33-35-61)58-21-10-7-11-22-58/h4-54H,1-3H2/b18-16+,67-23+,72-17+
InChIKeyIUYFVJVIEAQYEJ-QEAMAFDKSA-N
XLogP19.36
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.34
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline with MolForge

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Related Compounds

6-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-9-phenyl-N-[(3E,5E)-6-phenylhexa-1,3,5-trien-3-yl]-N-(4-phenylphenyl)carbazol-3-amine
CID 118187193
4-phenyl-N-[4-[4-(N-[(3E,5E)-6-(9-phenylcarbazol-3-yl)hexa-1,3,5-trien-3-yl]anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 58536455
4-carbazol-9-yl-N-[(3E,5E)-6-carbazol-9-ylhexa-1,3,5-trien-3-yl]-N-(4-carbazol-9-ylphenyl)aniline
CID 163718884
4-N-[4-[9-(4-ethenylphenyl)carbazol-3-yl]phenyl]-4-N-[4-[4-[4-[9-(4-ethenylphenyl)carbazol-3-yl]-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]phenyl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 137428819
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-[(3E,5E)-6-dibenzofuran-3-ylhexa-1,3,5-trien-3-yl]triphenylen-2-amine
CID 118187124
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
4-[4-(4-ethenylphenyl)phenyl]-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 58568926
N-[4-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]phenyl]-4-(4-phenylhexa-1,3,5-trienyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 76816270
3,9-bis(4-ethenylphenyl)carbazole
CID 154999846

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline?
The IUPAC name of N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline (CID 58536424) is N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline.
What is the SMILES notation for N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline?
The canonical SMILES for N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline is C=C/C=c1\c(=C)n(-c2ccc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc(N(/C(C=C)=C/C=C/c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccc(-c9ccccc9)cc8)cc7)cc6)cc5)ccc43)cc2)c2ccccc12.
What is the InChIKey of N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline?
The InChIKey is IUYFVJVIEAQYEJ-QEAMAFDKSA-N. The full InChI is InChI=1S/C78H57N3/c1-4-17-72-55(3)79(76-26-14-12-24-73(72)76)68-49-51-71(52-50-68)81-77-27-15-13-25-74(77)75-54-66(44-53-78(75)81)65-38-36-62(37-39-65)64-42-47-70(48-43-64)80(67(5-2)23-16-18-56-28-30-59(31-29-56)57-19-8-6-9-20-57)69-45-40-63(41-46-69)61-34-32-60(33-35-61)58-21-10-7-11-22-58/h4-54H,1-3H2/b18-16+,67-23+,72-17+.
What are the key properties of N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline?
N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline has a molecular weight of 1036.34 g/mol, XLogP of 19.36, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[9-[4-[(3Z)-2-methylidene-3-prop-2-enylideneindol-1-yl]phenyl]carbazol-3-yl]phenyl]phenyl]-4-(4-phenylphenyl)-N-[(3E,5E)-6-(4-phenylphenyl)hexa-1,3,5-trien-3-yl]aniline is sourced from PubChem (CID 58536424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).