N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine

C38H27N3 — CID 166714230

IUPACN-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine
SMILESC1=C2c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6cccnc6)cc5)c5ccccn5)c4)c(c32)CC1
InChIInChI=1S/C38H27N3/c1-2-12-33-32(11-1)35-14-6-13-34-31(20-21-36(33)38(34)35)27-8-5-10-30(24-27)41(37-15-3-4-23-40-37)29-18-16-26(17-19-29)28-9-7-22-39-25-28/h1-5,7-12,14-25H,6,13H2
InChIKeyPGMUQVFHQZQVAW-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.64
Rot. Bonds5

About N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine

N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine (PubChem CID 166714230) has the molecular formula C38H27N3 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine
PubChem CID166714230
Molecular FormulaC38H27N3
Molecular Weight525.66 g/mol
Exact Mass525.22
IUPAC NameN-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine
SMILESC1=C2c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6cccnc6)cc5)c5ccccn5)c4)c(c32)CC1
InChIInChI=1S/C38H27N3/c1-2-12-33-32(11-1)35-14-6-13-34-31(20-21-36(33)38(34)35)27-8-5-10-30(24-27)41(37-15-3-4-23-40-37)29-18-16-26(17-19-29)28-9-7-22-39-25-28/h1-5,7-12,14-25H,6,13H2
InChIKeyPGMUQVFHQZQVAW-UHFFFAOYSA-N
XLogP9.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(3-fluoranthen-3-ylphenyl)pyridin-2-amine;N,N-bis(3-fluoranthen-3-ylphenyl)pyridin-3-amine;N,N-bis(3-fluoranthen-3-ylphenyl)pyridin-4-amine;3-fluoranthen-3-yl-N,N-bis(4-pyridin-3-ylphenyl)aniline;3-(3-fluoranthen-3-yl-N-(3-fluoranthen-3-ylphenyl)anilino)benzonitrile;3-fluoranthen-3-yl-N-(3-fluoranthen-3-ylphenyl)-N-(4-pyridin-3-ylphenyl)aniline
CID 158013422
N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-3-ylanilino)phenyl]thiophen-2-yl]phenyl]pyridin-2-amine
CID 122659540
N-[4-[5-[4-(N,4-dipyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-3-amine;N-(3-phenylphenyl)-N-[4-[5-[4-(3-phenyl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(N-pyridin-2-yl-4-pyridin-3-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-2-amine;N-(4-pyridin-3-ylphenyl)-N-[4-[5-[4-(4-pyridin-3-yl-N-pyridin-4-ylanilino)phenyl]furan-2-yl]phenyl]pyridin-4-amine
CID 158328940
ethane;N-(3-fluoranthen-8-ylphenyl)-N-phenylpyridin-2-amine
CID 144605066
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]pyridin-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]-N-(3-pyridin-3-ylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)fluoren-2-amine;methane
CID 160706039
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-pyridin-3-ylphenyl)aniline
CID 134393257
N-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-N-pyridin-2-ylpyridin-2-amine
CID 59390587
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N-(10-phenylanthracen-9-yl)-N-(3-phenylphenyl)pyridin-2-amine
CID 59390876
9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-2-ylanthracene-2,6-diamine;9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,2-N,6-N,6-N-tetrapyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-3-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-2-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,6-N-dipyridin-3-yl-2-N,6-N-dipyridin-4-ylanthracene-2,6-diamine;9,10-bis(3,5-dimethylphenyl)-2-N,2-N,6-N,6-N-tetrapyridin-3-ylanthracene-2,6-diamine
CID 158836203
N,N-diphenyl-3-[2-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58729717
N-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-N-[3-(5-phenylthiophen-2-yl)phenyl]pyridin-2-amine
CID 58121679

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine?
The IUPAC name of N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine (CID 166714230) is N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine.
What is the SMILES notation for N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine?
The canonical SMILES for N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine is C1=C2c3ccccc3-c3ccc(-c4cccc(N(c5ccc(-c6cccnc6)cc5)c5ccccn5)c4)c(c32)CC1.
What is the InChIKey of N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine?
The InChIKey is PGMUQVFHQZQVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3/c1-2-12-33-32(11-1)35-14-6-13-34-31(20-21-36(33)38(34)35)27-8-5-10-30(24-27)41(37-15-3-4-23-40-37)29-18-16-26(17-19-29)28-9-7-22-39-25-28/h1-5,7-12,14-25H,6,13H2.
What are the key properties of N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine?
N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine has a molecular weight of 525.66 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydrofluoranthen-3-yl)phenyl]-N-(4-pyridin-3-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 166714230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).