N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine

C49H43N3 — CID 143543625

IUPACN-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine
SMILESC=Cc1c(CC)c2c(n1-c1ccc(-c3ccc(Cc4ccc(-c5ccc(N(c6ccccc6)c6ccncc6C)cc5)cc4)cc3)cc1)C=CCC2
InChIInChI=1S/C49H43N3/c1-4-45-46-13-9-10-14-49(46)52(47(45)5-2)44-29-25-41(26-30-44)39-21-17-37(18-22-39)33-36-15-19-38(20-16-36)40-23-27-43(28-24-40)51(42-11-7-6-8-12-42)48-31-32-50-34-35(48)3/h5-8,10-12,14-32,34H,2,4,9,13,33H2,1,3H3
InChIKeyLATZAFDBULQYGC-UHFFFAOYSA-N
MW673.90 g/mol
LogP12.74
Rot. Bonds10

About N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine

N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine (PubChem CID 143543625) has the molecular formula C49H43N3 and a molecular weight of 673.90 g/mol. Its IUPAC name is N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine.

Molecular Properties

Compound NameN-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine
PubChem CID143543625
Molecular FormulaC49H43N3
Molecular Weight673.90 g/mol
Exact Mass673.35
IUPAC NameN-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine
SMILESC=Cc1c(CC)c2c(n1-c1ccc(-c3ccc(Cc4ccc(-c5ccc(N(c6ccccc6)c6ccncc6C)cc5)cc4)cc3)cc1)C=CCC2
InChIInChI=1S/C49H43N3/c1-4-45-46-13-9-10-14-49(46)52(47(45)5-2)44-29-25-41(26-30-44)39-21-17-37(18-22-39)33-36-15-19-38(20-16-36)40-23-27-43(28-24-40)51(42-11-7-6-8-12-42)48-31-32-50-34-35(48)3/h5-8,10-12,14-32,34H,2,4,9,13,33H2,1,3H3
InChIKeyLATZAFDBULQYGC-UHFFFAOYSA-N
XLogP12.74
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.90
LogP ≤ 512.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[[4-[4-(2-ethenyl-3-propyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]-3,4,5,6-tetrahydrocarbazole
CID 143388730
5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
2-ethenyl-3-methyl-1-phenyl-4,5-dihydroindole
CID 167566058
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
9-[4-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]indol-1-yl]phenyl]phenyl]-3,4-dihydrocarbazole
CID 89302416
2-ethyl-1-[4-[10-[(4-phenylphenyl)methyl]anthracen-9-yl]phenyl]-4,5-dihydrobenzimidazole
CID 155420229
8-[4-[[4-(4-benzylphenyl)phenyl]methyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;propane
CID 143216209
8-[4-[4-[[4-(1,2-dihydrocarbazol-9-yl)phenyl]methyl]phenyl]phenyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143295809
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-3-methylphenyl]-N-phenylnaphthalen-2-amine
CID 71024477
4-ethyl-N-[4-[4-(N-(4-ethyl-2-methylphenyl)anilino)phenyl]phenyl]-2-methyl-N-phenylaniline
CID 59925649
N-[4-[4-(N-[2-methyl-3-[(Z)-prop-1-enyl]phenyl]anilino)phenyl]phenyl]-N-phenyl-7,8-dihydronaphthalen-1-amine
CID 155395667
N-[4-(3,4-dihydrocarbazol-9-yl)cyclohexa-1,3-dien-1-yl]-2-ethenyl-3-methyl-N-(3-phenylphenyl)-1-benzothiophen-7-amine
CID 144579289

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine?
The IUPAC name of N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine (CID 143543625) is N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine.
What is the SMILES notation for N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine?
The canonical SMILES for N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine is C=Cc1c(CC)c2c(n1-c1ccc(-c3ccc(Cc4ccc(-c5ccc(N(c6ccccc6)c6ccncc6C)cc5)cc4)cc3)cc1)C=CCC2.
What is the InChIKey of N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine?
The InChIKey is LATZAFDBULQYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N3/c1-4-45-46-13-9-10-14-49(46)52(47(45)5-2)44-29-25-41(26-30-44)39-21-17-37(18-22-39)33-36-15-19-38(20-16-36)40-23-27-43(28-24-40)51(42-11-7-6-8-12-42)48-31-32-50-34-35(48)3/h5-8,10-12,14-32,34H,2,4,9,13,33H2,1,3H3.
What are the key properties of N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine?
N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine has a molecular weight of 673.90 g/mol, XLogP of 12.74, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[4-[4-(2-ethenyl-3-ethyl-4,5-dihydroindol-1-yl)phenyl]phenyl]methyl]phenyl]phenyl]-3-methyl-N-phenylpyridin-4-amine is sourced from PubChem (CID 143543625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).