N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline

C43H34N2 — CID 123438104

IUPACN-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline
SMILESC=c1c(=CC=C(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C43H34N2/c1-32(22-31-42-33(2)41-20-12-13-21-43(41)45(42)38-18-10-5-11-19-38)34-23-27-39(28-24-34)44(37-16-8-4-9-17-37)40-29-25-36(26-30-40)35-14-6-3-7-15-35/h3-31H,2H2,1H3
InChIKeyDNJAQAHWMMQTNQ-UHFFFAOYSA-N
MW578.76 g/mol
LogP10.06
Rot. Bonds7

About N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline

N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline (PubChem CID 123438104) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline
PubChem CID123438104
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC NameN-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline
SMILESC=c1c(=CC=C(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)n(-c2ccccc2)c2ccccc12
InChIInChI=1S/C43H34N2/c1-32(22-31-42-33(2)41-20-12-13-21-43(41)45(42)38-18-10-5-11-19-38)34-23-27-39(28-24-34)44(37-16-8-4-9-17-37)40-29-25-36(26-30-40)35-14-6-3-7-15-35/h3-31H,2H2,1H3
InChIKeyDNJAQAHWMMQTNQ-UHFFFAOYSA-N
XLogP10.06
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
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
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-prop-1-en-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 58568883
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,4-bis(4-carbazol-9-ylphenyl)-N-phenylaniline
CID 90296019
N-[4-[4-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]phenyl]phenyl]-N-[4-[(2E)-penta-2,4-dien-2-yl]phenyl]-4-phenylaniline
CID 144521050
N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 59469837
9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[4-(3,5-diphenylphenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 70808563
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
3,6-bis(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;N,N-diphenyl-4-[6-[4-(N-phenylanilino)phenyl]-9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 158023150

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline (CID 123438104) is N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline is C=c1c(=CC=C(C)c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc2)n(-c2ccccc2)c2ccccc12.
What is the InChIKey of N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline?
The InChIKey is DNJAQAHWMMQTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-32(22-31-42-33(2)41-20-12-13-21-43(41)45(42)38-18-10-5-11-19-38)34-23-27-39(28-24-34)44(37-16-8-4-9-17-37)40-29-25-36(26-30-40)35-14-6-3-7-15-35/h3-31H,2H2,1H3.
What are the key properties of N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline?
N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline has a molecular weight of 578.76 g/mol, XLogP of 10.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 123438104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).