2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene

C59H50N2 — CID 143423814

IUPAC2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.CCc1cc2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C54H40N2.C5H10/c1-2-43-36-42-37-47(34-35-52(42)56(43)45-20-10-5-11-21-45)55(44-18-8-4-9-19-44)46-32-30-39(31-33-46)38-26-28-41(29-27-38)54-50-24-14-12-22-48(50)53(40-16-6-3-7-17-40)49-23-13-15-25-51(49)54;1-3-5-4-2/h3-37H,2H2,1H3;3,5H,4H2,1-2H3/b;5-3-
InChIKeyZLSNNFWVUCAKMZ-PJAIOPLOSA-N
MW787.06 g/mol
LogP16.94
Rot. Bonds9

About 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene

2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene (PubChem CID 143423814) has the molecular formula C59H50N2 and a molecular weight of 787.06 g/mol. Its IUPAC name is 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene.

Molecular Properties

Compound Name2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene
PubChem CID143423814
Molecular FormulaC59H50N2
Molecular Weight787.06 g/mol
Exact Mass786.40
IUPAC Name2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene
SMILESC/C=C\CC.CCc1cc2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc2n1-c1ccccc1
InChIInChI=1S/C54H40N2.C5H10/c1-2-43-36-42-37-47(34-35-52(42)56(43)45-20-10-5-11-21-45)55(44-18-8-4-9-19-44)46-32-30-39(31-33-46)38-26-28-41(29-27-38)54-50-24-14-12-22-48(50)53(40-16-6-3-7-17-40)49-23-13-15-25-51(49)54;1-3-5-4-2/h3-37H,2H2,1H3;3,5H,4H2,1-2H3/b;5-3-
InChIKeyZLSNNFWVUCAKMZ-PJAIOPLOSA-N
XLogP16.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.06
LogP ≤ 516.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene with MolForge

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Related Compounds

6-ethyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850679
6-methyl-N,9-diphenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 91307888
3-N,3-N,6-N,6-N-tetraphenyl-9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole-3,6-diamine;3-N,3-N,6-N,6-N-tetraphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazole-3,6-diamine
CID 161188379
N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 59010605
6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;N-[4-[3-methyl-10-[4-(N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenyl-6-(4-phenylphenyl)carbazol-3-amine
CID 158721226
N,N-diphenyl-9-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]carbazol-3-amine
CID 59844627
N-naphthalen-1-yl-9-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-amine
CID 58850657
6-naphthalen-1-yl-N-[4-[10-[4-(N-(6-naphthalen-1-yl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 59010589
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
6-ethyl-N-[4-[10-[4-(N-(6-ethyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[3-methyl-10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine;6-methyl-N-[4-[10-[4-(N-(6-methyl-9-phenylcarbazol-3-yl)anilino)phenyl]anthracen-9-yl]phenyl]-N,9-diphenylcarbazol-3-amine
CID 159561442
N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-[9-(3-phenylphenyl)carbazol-3-yl]aniline
CID 59827974
N-(4-naphthalen-2-ylphenyl)-4-[4-(10-phenylanthracen-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 59288195

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene?
The IUPAC name of 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene (CID 143423814) is 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene.
What is the SMILES notation for 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene?
The canonical SMILES for 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene is C/C=C\CC.CCc1cc2cc(N(c3ccccc3)c3ccc(-c4ccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)cc4)cc3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene?
The InChIKey is ZLSNNFWVUCAKMZ-PJAIOPLOSA-N. The full InChI is InChI=1S/C54H40N2.C5H10/c1-2-43-36-42-37-47(34-35-52(42)56(43)45-20-10-5-11-21-45)55(44-18-8-4-9-19-44)46-32-30-39(31-33-46)38-26-28-41(29-27-38)54-50-24-14-12-22-48(50)53(40-16-6-3-7-17-40)49-23-13-15-25-51(49)54;1-3-5-4-2/h3-37H,2H2,1H3;3,5H,4H2,1-2H3/b;5-3-.
What are the key properties of 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene?
2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene has a molecular weight of 787.06 g/mol, XLogP of 16.94, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,1-diphenyl-N-[4-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]indol-5-amine;(Z)-pent-2-ene is sourced from PubChem (CID 143423814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).