ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene

C44H43N3 — CID 143216467

IUPACethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene
SMILESC=CC.CC.Cc1cc2cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4ccccc4)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C39H31N3.C3H6.C2H6/c1-30-27-31-28-38(25-26-39(31)40(30)32-15-6-2-7-16-32)42(35-21-12-5-13-22-35)37-24-14-23-36(29-37)41(33-17-8-3-9-18-33)34-19-10-4-11-20-34;1-3-2;1-2/h2-29H,1H3;3H,1H2,2H3;1-2H3
InChIKeyCDXNOCLOPIOXJE-UHFFFAOYSA-N
MW613.85 g/mol
LogP13.10
Rot. Bonds7

About ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene

ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene (PubChem CID 143216467) has the molecular formula C44H43N3 and a molecular weight of 613.85 g/mol. Its IUPAC name is ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene.

Molecular Properties

Compound Nameethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene
PubChem CID143216467
Molecular FormulaC44H43N3
Molecular Weight613.85 g/mol
Exact Mass613.35
IUPAC Nameethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene
SMILESC=CC.CC.Cc1cc2cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4ccccc4)c3)ccc2n1-c1ccccc1
InChIInChI=1S/C39H31N3.C3H6.C2H6/c1-30-27-31-28-38(25-26-39(31)40(30)32-15-6-2-7-16-32)42(35-21-12-5-13-22-35)37-24-14-23-36(29-37)41(33-17-8-3-9-18-33)34-19-10-4-11-20-34;1-3-2;1-2/h2-29H,1H3;3H,1H2,2H3;1-2H3
InChIKeyCDXNOCLOPIOXJE-UHFFFAOYSA-N
XLogP13.10
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.85
LogP ≤ 513.10
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

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
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-ethenyl-N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 166764286
2-methyl-N-[(E)-1-(2-methyl-1-phenylindol-3-yl)prop-1-en-2-yl]-N,1-diphenylindol-5-amine
CID 143516134
2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene
CID 143423814
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
6-(4-ethenylphenyl)-N-[4-[4-(N-[6-(4-ethenylphenyl)-9-phenylcarbazol-3-yl]anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 139320793
4-(3,6-diphenylquinoxalin-2-yl)-N-[4-(2-methylindol-1-yl)phenyl]-N-phenylaniline
CID 143543342
1-N,3-N-bis[4-[4-[3,6-bis(4-phenylphenyl)carbazol-9-yl]phenyl]phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 59816026
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
1-N,1-N,3-N,3-N-tetrakis[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3-diamine
CID 59745960
2-N,2-N,8-N,8-N-tetrakis(4-methylphenyl)-5,11-diphenylindolo[3,2-b]carbazole-2,8-diamine
CID 58501357

Frequently Asked Questions

What is the IUPAC name of ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene?
The IUPAC name of ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene (CID 143216467) is ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene.
What is the SMILES notation for ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene?
The canonical SMILES for ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene is C=CC.CC.Cc1cc2cc(N(c3ccccc3)c3cccc(N(c4ccccc4)c4ccccc4)c3)ccc2n1-c1ccccc1.
What is the InChIKey of ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene?
The InChIKey is CDXNOCLOPIOXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H31N3.C3H6.C2H6/c1-30-27-31-28-38(25-26-39(31)40(30)32-15-6-2-7-16-32)42(35-21-12-5-13-22-35)37-24-14-23-36(29-37)41(33-17-8-3-9-18-33)34-19-10-4-11-20-34;1-3-2;1-2/h2-29H,1H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene?
ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene has a molecular weight of 613.85 g/mol, XLogP of 13.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-N-(2-methyl-1-phenylindol-5-yl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine;prop-1-ene is sourced from PubChem (CID 143216467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).