N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine

C46H32N6 — CID 140933293

IUPACN-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
SMILESc1ccc(-c2ccnc(-c3cccc(N(c4ccccc4)c4ccc5c(-c6ccccn6)c(-c6ccccn6)n(-c6ccccn6)c5c4)c3)c2)cc1
InChIInChI=1S/C46H32N6/c1-3-14-33(15-4-1)34-25-29-49-42(31-34)35-16-13-19-37(30-35)51(36-17-5-2-6-18-36)38-23-24-39-43(32-38)52(44-22-9-12-28-50-44)46(41-21-8-11-27-48-41)45(39)40-20-7-10-26-47-40/h1-32H
InChIKeyXAKOMKDPHFWIKL-UHFFFAOYSA-N
MW668.80 g/mol
LogP11.35
Rot. Bonds8

About N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine

N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine (PubChem CID 140933293) has the molecular formula C46H32N6 and a molecular weight of 668.80 g/mol. Its IUPAC name is N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine.

Molecular Properties

Compound NameN-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
PubChem CID140933293
Molecular FormulaC46H32N6
Molecular Weight668.80 g/mol
Exact Mass668.27
IUPAC NameN-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine
SMILESc1ccc(-c2ccnc(-c3cccc(N(c4ccccc4)c4ccc5c(-c6ccccn6)c(-c6ccccn6)n(-c6ccccn6)c5c4)c3)c2)cc1
InChIInChI=1S/C46H32N6/c1-3-14-33(15-4-1)34-25-29-49-42(31-34)35-16-13-19-37(30-35)51(36-17-5-2-6-18-36)38-23-24-39-43(32-38)52(44-22-9-12-28-50-44)46(41-21-8-11-27-48-41)45(39)40-20-7-10-26-47-40/h1-32H
InChIKeyXAKOMKDPHFWIKL-UHFFFAOYSA-N
XLogP11.35
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,12-diphenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884607
N-[3-(4-methyl-2-pyridinyl)phenyl]-N,12-diphenyl-5-pyridin-2-ylindolo[2,3-g]carbazol-3-amine
CID 140884565
N-[3-(1-methylbenzimidazol-2-yl)phenyl]-N,2,3-triphenyl-1-pyridin-2-ylindol-6-amine
CID 140933281
3-[6-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9-pyridin-2-ylcarbazol-3-yl]-N,N-bis(4-methylphenyl)aniline
CID 144565221
9-(4-methyl-2-pyridinyl)-N,14-diphenyl-N-(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 140884549
N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
N-(4-carbazol-9-ylphenyl)-N-phenyl-9,10-bis(3-pyridin-2-ylphenyl)anthracen-2-amine
CID 59211181
2-[4-(4-phenylphenyl)-2-pyridinyl]-9-(3-pyridin-2-ylphenyl)carbazole
CID 140825608
N,N-bis(4-phenylphenyl)-3-(9-pyrimidin-2-ylcarbazol-3-yl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(6-phenyl-9-pyrimidin-2-ylcarbazol-3-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(9-pyrimidin-2-ylcarbazol-2-yl)phenyl]aniline
CID 157152795
1-(2,3-diphenyl-1-pyridin-2-ylindol-6-yl)-2,3-diphenyl-6-pyridin-2-ylindole
CID 140933249
4-N-[3-(5-methyl-4-phenyl-2-pyridinyl)phenyl]-1-N,1-N-diphenyl-4-N-[3-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]benzene-1,4-diamine
CID 140908500
3-N,3-N,6-N,6-N-tetraphenyl-9-[4-(4-pyridin-2-ylphenyl)phenyl]carbazole-3,6-diamine
CID 130354274

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine?
The IUPAC name of N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine (CID 140933293) is N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine.
What is the SMILES notation for N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine?
The canonical SMILES for N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine is c1ccc(-c2ccnc(-c3cccc(N(c4ccccc4)c4ccc5c(-c6ccccn6)c(-c6ccccn6)n(-c6ccccn6)c5c4)c3)c2)cc1.
What is the InChIKey of N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine?
The InChIKey is XAKOMKDPHFWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N6/c1-3-14-33(15-4-1)34-25-29-49-42(31-34)35-16-13-19-37(30-35)51(36-17-5-2-6-18-36)38-23-24-39-43(32-38)52(44-22-9-12-28-50-44)46(41-21-8-11-27-48-41)45(39)40-20-7-10-26-47-40/h1-32H.
What are the key properties of N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine?
N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine has a molecular weight of 668.80 g/mol, XLogP of 11.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(4-phenyl-2-pyridinyl)phenyl]-1,2,3-tripyridin-2-ylindol-6-amine is sourced from PubChem (CID 140933293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).