2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine

C48H33N3 — CID 151790015

IUPAC2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)[nH]c4c3)ccc2c1
InChIInChI=1S/C48H33N3/c1-5-13-37-27-42(22-17-33(37)9-1)50(43-23-18-34-10-2-6-14-38(34)28-43)46-26-21-41-31-48(49-47(41)32-46)51(44-24-19-35-11-3-7-15-39(35)29-44)45-25-20-36-12-4-8-16-40(36)30-45/h1-32,49H
InChIKeyRWKPXKKHTYBUBS-UHFFFAOYSA-N
MW651.81 g/mol
LogP13.72
Rot. Bonds6

About 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine

2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine (PubChem CID 151790015) has the molecular formula C48H33N3 and a molecular weight of 651.81 g/mol. Its IUPAC name is 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine.

Molecular Properties

Compound Name2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine
PubChem CID151790015
Molecular FormulaC48H33N3
Molecular Weight651.81 g/mol
Exact Mass651.27
IUPAC Name2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine
SMILESc1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)[nH]c4c3)ccc2c1
InChIInChI=1S/C48H33N3/c1-5-13-37-27-42(22-17-33(37)9-1)50(43-23-18-34-10-2-6-14-38(34)28-43)46-26-21-41-31-48(49-47(41)32-46)51(44-24-19-35-11-3-7-15-39(35)29-44)45-25-20-36-12-4-8-16-40(36)30-45/h1-32,49H
InChIKeyRWKPXKKHTYBUBS-UHFFFAOYSA-N
XLogP13.72
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.81
LogP ≤ 513.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[4-[N-(1H-indol-2-yl)anilino]phenyl]phenyl]-N-phenyl-1H-indol-2-amine;N-phenyl-N-[4-[4-(N-pyren-2-ylanilino)phenyl]phenyl]pyren-2-amine
CID 159944394
N-[4-[3-[3-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 121286442
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 153292153
6-[(E)-2-[6-(dinaphthalen-2-ylamino)naphthalen-2-yl]ethenyl]-N,N-dinaphthalen-2-ylnaphthalen-2-amine
CID 58667641
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
N-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-3-phenyl-N-(3-phenylphenyl)aniline
CID 166565645
3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 167323928
N-(4-methoxyphenyl)-N-phenylnaphthalen-2-amine
CID 15905236

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine?
The IUPAC name of 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine (CID 151790015) is 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine.
What is the SMILES notation for 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine?
The canonical SMILES for 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine is c1ccc2cc(N(c3ccc4ccccc4c3)c3ccc4cc(N(c5ccc6ccccc6c5)c5ccc6ccccc6c5)[nH]c4c3)ccc2c1.
What is the InChIKey of 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine?
The InChIKey is RWKPXKKHTYBUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3/c1-5-13-37-27-42(22-17-33(37)9-1)50(43-23-18-34-10-2-6-14-38(34)28-43)46-26-21-41-31-48(49-47(41)32-46)51(44-24-19-35-11-3-7-15-39(35)29-44)45-25-20-36-12-4-8-16-40(36)30-45/h1-32,49H.
What are the key properties of 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine?
2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine has a molecular weight of 651.81 g/mol, XLogP of 13.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,6-N,6-N-tetranaphthalen-2-yl-1H-indole-2,6-diamine is sourced from PubChem (CID 151790015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).