N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine

C60H40N4 — CID 168814011

IUPACN,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine
SMILESC1=C=C(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)C=CC=1C1=C=C=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C60H40N4/c1-5-17-45(18-6-1)61(51-37-39-59-55(41-51)53-25-13-15-27-57(53)63(59)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-60-56(42-52)54-26-14-16-28-58(54)64(60)48-23-11-4-12-24-48/h1-15,17-27,29,31,33,35,37-42H,16,28H2
InChIKeyJANSPKOHNSRZNS-UHFFFAOYSA-N
MW817.01 g/mol
LogP14.93
Rot. Bonds9

About N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine

N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine (PubChem CID 168814011) has the molecular formula C60H40N4 and a molecular weight of 817.01 g/mol. Its IUPAC name is N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine
PubChem CID168814011
Molecular FormulaC60H40N4
Molecular Weight817.01 g/mol
Exact Mass816.33
IUPAC NameN,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine
SMILESC1=C=C(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)C=CC=1C1=C=C=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1
InChIInChI=1S/C60H40N4/c1-5-17-45(18-6-1)61(51-37-39-59-55(41-51)53-25-13-15-27-57(53)63(59)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-60-56(42-52)54-26-14-16-28-58(54)64(60)48-23-11-4-12-24-48/h1-15,17-27,29,31,33,35,37-42H,16,28H2
InChIKeyJANSPKOHNSRZNS-UHFFFAOYSA-N
XLogP14.93
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.01
LogP ≤ 514.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(7-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)-N,9-diphenylcarbazol-3-amine
CID 163884371
3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
3-N-(4a,9a-dihydroanthracen-2-yl)-6-N-anthracen-2-yl-9-phenyl-6-N-(9-phenylcarbazol-3-yl)-3-N-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole-3,6-diamine
CID 89234878
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
4-N-[4-(6,7-dihydrodibenzofuran-4-yl)phenyl]-1-N,1-N-diphenyl-4-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 70671807
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
CID 144831039

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine?
The IUPAC name of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine (CID 168814011) is N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine.
What is the SMILES notation for N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine?
The canonical SMILES for N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine is C1=C=C(N(c2ccccc2)c2ccc3c(c2)c2c(n3-c3ccccc3)CCC=C2)C=CC=1C1=C=C=C(N(c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C=C1.
What is the InChIKey of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine?
The InChIKey is JANSPKOHNSRZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N4/c1-5-17-45(18-6-1)61(51-37-39-59-55(41-51)53-25-13-15-27-57(53)63(59)47-21-9-3-10-22-47)49-33-29-43(30-34-49)44-31-35-50(36-32-44)62(46-19-7-2-8-20-46)52-38-40-60-56(42-52)54-26-14-16-28-58(54)64(60)48-23-11-4-12-24-48/h1-15,17-27,29,31,33,35,37-42H,16,28H2.
What are the key properties of N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine?
N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine has a molecular weight of 817.01 g/mol, XLogP of 14.93, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-[4-[4-(N-(9-phenyl-7,8-dihydrocarbazol-3-yl)anilino)cyclohexa-1,2,3,5-tetraen-1-yl]cyclohexa-1,2,3,5-tetraen-1-yl]carbazol-3-amine is sourced from PubChem (CID 168814011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).