N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine

C66H47N5 — CID 126727435

IUPACN-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
SMILESC1=CC(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC=C1n1c2ccccc2c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C66H47N5/c1-3-18-46(19-4-1)67(48-34-40-51(41-35-48)69-59-27-12-7-22-54(59)55-23-8-13-28-60(55)69)49-36-42-53(43-37-49)71-63-31-16-11-26-58(63)66-64(32-17-33-65(66)71)68(47-20-5-2-6-21-47)50-38-44-52(45-39-50)70-61-29-14-9-24-56(61)57-25-10-15-30-62(57)70/h1-36,38-45,49H,37H2
InChIKeySYIPLXRSQJMZIW-UHFFFAOYSA-N
MW910.14 g/mol
LogP17.47
Rot. Bonds9

About N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine

N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine (PubChem CID 126727435) has the molecular formula C66H47N5 and a molecular weight of 910.14 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
PubChem CID126727435
Molecular FormulaC66H47N5
Molecular Weight910.14 g/mol
Exact Mass909.38
IUPAC NameN-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine
SMILESC1=CC(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC=C1n1c2ccccc2c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C66H47N5/c1-3-18-46(19-4-1)67(48-34-40-51(41-35-48)69-59-27-12-7-22-54(59)55-23-8-13-28-60(55)69)49-36-42-53(43-37-49)71-63-31-16-11-26-58(63)66-64(32-17-33-65(66)71)68(47-20-5-2-6-21-47)50-38-44-52(45-39-50)70-61-29-14-9-24-56(61)57-25-10-15-30-62(57)70/h1-36,38-45,49H,37H2
InChIKeySYIPLXRSQJMZIW-UHFFFAOYSA-N
XLogP17.47
TPSA21.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.14
LogP ≤ 517.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)aniline
CID 138569576
9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)carbazol-4-amine
CID 90377540
N-cyclohexa-2,4-dien-1-yl-4-[27-[4-(N-cyclohexa-2,4-dien-1-ylanilino)phenyl]-18-[4-(N-phenylanilino)phenyl]-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaen-9-yl]-N-phenylaniline
CID 131994501
N,N,9-triphenyl-6-(9-phenylcarbazol-3-yl)carbazol-4-amine
CID 134369862
N,9-bis(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-4-yl]carbazol-4-amine
CID 138548978
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
9-[4-[2,5-dimethyl-4-[4-[4-(N-phenylanilino)carbazol-9-yl]phenyl]phenyl]phenyl]-N,N-diphenylcarbazol-4-amine
CID 172537492
2-N,4-N,4-N-triphenyl-2-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazole-2,4-diamine
CID 154965850
N-phenyl-N-(9-phenylcarbazol-4-yl)-9-(4-phenylphenyl)carbazol-1-amine
CID 155004275
9-[4-(4-carbazol-9-ylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 129310423
2-[11-cyclohexa-1,5-dien-1-yl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]-5-[11-phenyl-1-(N-phenylanilino)indolo[3,2-b]carbazol-5-yl]benzene-1,4-dicarbonitrile
CID 155237492
[4-(4-phenyl-N-(9-phenylcarbazol-4-yl)anilino)phenyl]boronic acid
CID 171410503

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine (CID 126727435) is N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine is C1=CC(N(c2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)CC=C1n1c2ccccc2c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine?
The InChIKey is SYIPLXRSQJMZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H47N5/c1-3-18-46(19-4-1)67(48-34-40-51(41-35-48)69-59-27-12-7-22-54(59)55-23-8-13-28-60(55)69)49-36-42-53(43-37-49)71-63-31-16-11-26-58(63)66-64(32-17-33-65(66)71)68(47-20-5-2-6-21-47)50-38-44-52(45-39-50)70-61-29-14-9-24-56(61)57-25-10-15-30-62(57)70/h1-36,38-45,49H,37H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine?
N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine has a molecular weight of 910.14 g/mol, XLogP of 17.47, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9-[4-(N-(4-carbazol-9-ylphenyl)anilino)cyclohexa-1,5-dien-1-yl]-N-phenylcarbazol-4-amine is sourced from PubChem (CID 126727435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).