N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

C73H56N4 — CID 170005906

IUPACN-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESC=C1/C=C\C=C/CN(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3cccc(C4=CCCC=C4)c3)cc21
InChIInChI=1S/C73H56N4/c1-53-21-7-6-18-48-74(60-28-12-4-13-29-60)71-46-44-66(51-69(53)71)75(64-32-19-26-58(49-64)54-22-8-2-9-23-54)62-40-36-56(37-41-62)57-38-42-63(43-39-57)76(65-33-20-27-59(50-65)55-24-10-3-11-25-55)67-45-47-73-70(52-67)68-34-16-17-35-72(68)77(73)61-30-14-5-15-31-61/h3-8,10-47,49-52H,1-2,9,48H2/b18-6-,21-7-
InChIKeyADNHVHBHVROMFR-VRVOBMQISA-N
MW989.28 g/mol
LogP20.07
Rot. Bonds11

About N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine

N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (PubChem CID 170005906) has the molecular formula C73H56N4 and a molecular weight of 989.28 g/mol. Its IUPAC name is N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.

Molecular Properties

Compound NameN-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
PubChem CID170005906
Molecular FormulaC73H56N4
Molecular Weight989.28 g/mol
Exact Mass988.45
IUPAC NameN-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine
SMILESC=C1/C=C\C=C/CN(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3cccc(C4=CCCC=C4)c3)cc21
InChIInChI=1S/C73H56N4/c1-53-21-7-6-18-48-74(60-28-12-4-13-29-60)71-46-44-66(51-69(53)71)75(64-32-19-26-58(49-64)54-22-8-2-9-23-54)62-40-36-56(37-41-62)57-38-42-63(43-39-57)76(65-33-20-27-59(50-65)55-24-10-3-11-25-55)67-45-47-73-70(52-67)68-34-16-17-35-72(68)77(73)61-30-14-5-15-31-61/h3-8,10-47,49-52H,1-2,9,48H2/b18-6-,21-7-
InChIKeyADNHVHBHVROMFR-VRVOBMQISA-N
XLogP20.07
TPSA14.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.28
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine with MolForge

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Related Compounds

N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 166958703
N-[4-(2-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-cyclohexa-1,5-dien-1-yl-N-(3-phenylphenyl)aniline
CID 156558918
N-(3-cyclohexa-1,5-dien-1-yl-5-phenylphenyl)-9-phenyl-N-[4-(8-phenyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,13(17),14-heptaen-5-yl)phenyl]carbazol-3-amine
CID 129092365
N-[4-[4-[2-(2-cyclohexa-1,5-dien-1-yl-6-phenylcarbazol-9-yl)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166876411
9-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenylcarbazole
CID 130456805
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
N-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]-3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]aniline
CID 166659661
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-naphtho[2,1-b][1]benzothiol-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 170041721
3-carbazol-9-yl-10-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]-15-(3-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 118137680
N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170132462
N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-3-(4-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]aniline
CID 121312772

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The IUPAC name of N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine (CID 170005906) is N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine.
What is the SMILES notation for N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The canonical SMILES for N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is C=C1/C=C\C=C/CN(c2ccccc2)c2ccc(N(c3ccc(-c4ccc(N(c5cccc(-c6ccccc6)c5)c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc3)c3cccc(C4=CCCC=C4)c3)cc21.
What is the InChIKey of N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
The InChIKey is ADNHVHBHVROMFR-VRVOBMQISA-N. The full InChI is InChI=1S/C73H56N4/c1-53-21-7-6-18-48-74(60-28-12-4-13-29-60)71-46-44-66(51-69(53)71)75(64-32-19-26-58(49-64)54-22-8-2-9-23-54)62-40-36-56(37-41-62)57-38-42-63(43-39-57)76(65-33-20-27-59(50-65)55-24-10-3-11-25-55)67-45-47-73-70(52-67)68-34-16-17-35-72(68)77(73)61-30-14-5-15-31-61/h3-8,10-47,49-52H,1-2,9,48H2/b18-6-,21-7-.
What are the key properties of N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine?
N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine has a molecular weight of 989.28 g/mol, XLogP of 20.07, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-cyclohexa-1,5-dien-1-yl-N-[(3Z,5Z)-7-methylidene-1-phenyl-2H-1-benzazonin-9-yl]anilino)phenyl]phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-3-amine is sourced from PubChem (CID 170005906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).