4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene

C46H39N3 — CID 143216489

IUPAC4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene
SMILESC=CC.Cc1cc2cc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C43H33N3.C3H6/c1-32-29-35-31-42(27-28-43(35)44(32)36-15-5-2-6-16-36)46(41-22-21-33-13-11-12-14-34(33)30-41)40-25-23-39(24-26-40)45(37-17-7-3-8-18-37)38-19-9-4-10-20-38;1-3-2/h2-31H,1H3;3H,1H2,2H3
InChIKeyDNOSYXHQEJZEEA-UHFFFAOYSA-N
MW633.84 g/mol
LogP13.22
Rot. Bonds7

About 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene

4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene (PubChem CID 143216489) has the molecular formula C46H39N3 and a molecular weight of 633.84 g/mol. Its IUPAC name is 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene.

Molecular Properties

Compound Name4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene
PubChem CID143216489
Molecular FormulaC46H39N3
Molecular Weight633.84 g/mol
Exact Mass633.31
IUPAC Name4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene
SMILESC=CC.Cc1cc2cc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2n1-c1ccccc1
InChIInChI=1S/C43H33N3.C3H6/c1-32-29-35-31-42(27-28-43(35)44(32)36-15-5-2-6-16-36)46(41-22-21-33-13-11-12-14-34(33)30-41)40-25-23-39(24-26-40)45(37-17-7-3-8-18-37)38-19-9-4-10-20-38;1-3-2/h2-31H,1H3;3H,1H2,2H3
InChIKeyDNOSYXHQEJZEEA-UHFFFAOYSA-N
XLogP13.22
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.84
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene
CID 143216467
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
6-naphthalen-2-yl-N-[4-[2-[4-(N-(6-naphthalen-2-yl-9-phenylcarbazol-3-yl)anilino)phenyl]ethenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 76557049
N-[4-[5-[1-[4-(dinaphthalen-2-ylamino)phenyl]-2-methyl-3-phenylindol-5-yl]-2-methyl-3-phenylindol-1-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59184359
4-N-naphthalen-2-yl-1-N,1-N-diphenyl-4-N-(9-phenyl-6-triphenylsilylcarbazol-3-yl)benzene-1,4-diamine
CID 59720447
N-naphthalen-2-yl-N,9-diphenyl-6-triphenylsilylcarbazol-3-amine
CID 59720564
buta-1,3-diene;N-phenyl-N-[4-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]naphthalen-2-amine
CID 145273332
N-(4-bromophenyl)-N-naphthalen-2-yl-9-phenylcarbazol-3-amine
CID 118632291
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89074801

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene?
The IUPAC name of 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene (CID 143216489) is 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene.
What is the SMILES notation for 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene?
The canonical SMILES for 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene is C=CC.Cc1cc2cc(N(c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3ccc4ccccc4c3)ccc2n1-c1ccccc1.
What is the InChIKey of 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene?
The InChIKey is DNOSYXHQEJZEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N3.C3H6/c1-32-29-35-31-42(27-28-43(35)44(32)36-15-5-2-6-16-36)46(41-22-21-33-13-11-12-14-34(33)30-41)40-25-23-39(24-26-40)45(37-17-7-3-8-18-37)38-19-9-4-10-20-38;1-3-2/h2-31H,1H3;3H,1H2,2H3.
What are the key properties of 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene?
4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene has a molecular weight of 633.84 g/mol, XLogP of 13.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-1-phenylindol-5-yl)-4-N-naphthalen-2-yl-1-N,1-N-diphenylbenzene-1,4-diamine;prop-1-ene is sourced from PubChem (CID 143216489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).