N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline

C40H32N2 — CID 76557056

IUPACN-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline
SMILESCCc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C40H32N2/c1-2-30-16-18-31(19-17-30)20-21-32-22-24-34(25-23-32)41(33-10-4-3-5-11-33)35-26-28-36(29-27-35)42-39-14-8-6-12-37(39)38-13-7-9-15-40(38)42/h3-29H,2H2,1H3
InChIKeyDMAWCQIRSVFERT-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.99
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline

N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline (PubChem CID 76557056) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline
PubChem CID76557056
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC NameN-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline
SMILESCCc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1
InChIInChI=1S/C40H32N2/c1-2-30-16-18-31(19-17-30)20-21-32-22-24-34(25-23-32)41(33-10-4-3-5-11-33)35-26-28-36(29-27-35)42-39-14-8-6-12-37(39)38-13-7-9-15-40(38)42/h3-29H,2H2,1H3
InChIKeyDMAWCQIRSVFERT-UHFFFAOYSA-N
XLogP10.99
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[4-[(E)-2-[4-(N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 59722336
N-phenyl-9-(4-phenylphenyl)-N-[4-[2-[4-(N-[9-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]ethenyl]phenyl]carbazol-3-amine
CID 76557074
4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 20607981
6-ethyl-N-[4-[(E)-2-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine;bis(6-methyl-N-[4-[(E)-2-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine)
CID 159236150
9-(4-ethylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118689637
N,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline;4-carbazol-9-yl-N-(4-carbazol-9-ylphenyl)-N-phenylaniline;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 160833805
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
ethane;4-ethyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-ethyl-N-(4-ethylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-ethylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 91530733
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline (CID 76557056) is N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline is CCc1ccc(C=Cc2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline?
The InChIKey is DMAWCQIRSVFERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-2-30-16-18-31(19-17-30)20-21-32-22-24-34(25-23-32)41(33-10-4-3-5-11-33)35-26-28-36(29-27-35)42-39-14-8-6-12-37(39)38-13-7-9-15-40(38)42/h3-29H,2H2,1H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline?
N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline has a molecular weight of 540.71 g/mol, XLogP of 10.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-4-[2-(4-ethylphenyl)ethenyl]-N-phenylaniline is sourced from PubChem (CID 76557056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).