N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine

C34H31NO — CID 142500831

IUPACN,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine
SMILESCC1(C)Oc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3)cc2C1(C)C
InChIInChI=1S/C34H31NO/c1-33(2)30-22-24(19-20-32(30)36-34(33,3)4)26-21-25-13-11-12-18-29(25)31(23-26)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-23H,1-4H3
InChIKeyOMUYGCWAGLXPSC-UHFFFAOYSA-N
MW469.63 g/mol
LogP9.43
Rot. Bonds4

About N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine

N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine (PubChem CID 142500831) has the molecular formula C34H31NO and a molecular weight of 469.63 g/mol. Its IUPAC name is N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine
PubChem CID142500831
Molecular FormulaC34H31NO
Molecular Weight469.63 g/mol
Exact Mass469.24
IUPAC NameN,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine
SMILESCC1(C)Oc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3)cc2C1(C)C
InChIInChI=1S/C34H31NO/c1-33(2)30-22-24(19-20-32(30)36-34(33,3)4)26-21-25-13-11-12-18-29(25)31(23-26)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-23H,1-4H3
InChIKeyOMUYGCWAGLXPSC-UHFFFAOYSA-N
XLogP9.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.63
LogP ≤ 59.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylspiro[2-benzofuran-1,1'-cyclopentane]-5-yl)-N,N-diphenylnaphthalen-1-amine
CID 142500524
N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-3-[3-[4-(4-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]naphthalen-1-amine
CID 170150009
11,11-dimethyl-N-(3-naphthalen-2-ylnaphthalen-1-yl)-N-(4-phenylphenyl)benzo[b]fluoren-3-amine
CID 164774857
N-[9,9-dimethyl-7-[4-(4-phenylphenyl)phenyl]fluoren-2-yl]-N-phenylphenanthren-9-amine
CID 118428477
4-N-naphthalen-2-yl-1-N-[4-(N-naphthalen-2-ylanilino)phenyl]-1-N-[4-[N-naphthalen-2-yl-3-[4-(N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]anilino)naphthalen-2-yl]anilino]phenyl]-4-N-phenylbenzene-1,4-diamine
CID 134601920
3-chrysen-3-yl-N-[3-(4-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 170141642
N-(2,4-diphenylphenyl)-3-phenyl-N-(4-phenylphenyl)naphthalen-1-amine
CID 138622973
N-(9,9-dimethyl-7-phenylfluoren-2-yl)-N-(4-phenylphenyl)phenanthren-9-amine
CID 155305035
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-[4-(4-phenylphenyl)phenyl]phenanthren-9-amine
CID 118428440
N-[4-(8,8,14,14,22,22-hexamethyl-11-phenyl-1-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)phenyl]-N-phenylnaphthalen-1-amine
CID 70885924
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N-(4-benzo[g]phenanthren-3-ylphenyl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 167184501

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine?
The IUPAC name of N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine (CID 142500831) is N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine is CC1(C)Oc2ccc(-c3cc(N(c4ccccc4)c4ccccc4)c4ccccc4c3)cc2C1(C)C.
What is the InChIKey of N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine?
The InChIKey is OMUYGCWAGLXPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31NO/c1-33(2)30-22-24(19-20-32(30)36-34(33,3)4)26-21-25-13-11-12-18-29(25)31(23-26)35(27-14-7-5-8-15-27)28-16-9-6-10-17-28/h5-23H,1-4H3.
What are the key properties of N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine?
N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine has a molecular weight of 469.63 g/mol, XLogP of 9.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-(2,2,3,3-tetramethyl-1-benzofuran-5-yl)naphthalen-1-amine is sourced from PubChem (CID 142500831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).