N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine

C32H31BrIN — CID 176751677

IUPACN-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(Br)c(I)c3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C32H31BrIN/c1-31(2)18-19-32(3,4)27-20-23(14-16-26(27)31)35(24-15-17-28(33)29(34)21-24)30-13-9-8-12-25(30)22-10-6-5-7-11-22/h5-17,20-21H,18-19H2,1-4H3
InChIKeyROEQZBKFRPNBTO-UHFFFAOYSA-N
MW636.42 g/mol
LogP10.54
Rot. Bonds4

About N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine

N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine (PubChem CID 176751677) has the molecular formula C32H31BrIN and a molecular weight of 636.42 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine
PubChem CID176751677
Molecular FormulaC32H31BrIN
Molecular Weight636.42 g/mol
Exact Mass635.07
IUPAC NameN-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine
SMILESCC1(C)CCC(C)(C)c2cc(N(c3ccc(Br)c(I)c3)c3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C32H31BrIN/c1-31(2)18-19-32(3,4)27-20-23(14-16-26(27)31)35(24-15-17-28(33)29(34)21-24)30-13-9-8-12-25(30)22-10-6-5-7-11-22/h5-17,20-21H,18-19H2,1-4H3
InChIKeyROEQZBKFRPNBTO-UHFFFAOYSA-N
XLogP10.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.42
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5,5,8,8-tetramethyl-N-(2-phenylphenyl)-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170222776
2,4-diphenyl-N-(4-phenylphenyl)-N-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]aniline
CID 167260671
5,5,8,8-tetramethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-6,7-dihydronaphthalen-2-amine
CID 171735917
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-phenylanilino)-2-methylphenyl]-3-methylphenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 121322790
5,5,8,8-tetramethyl-N-naphthalen-1-yl-N-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]phenyl]-6,7-dihydronaphthalen-2-amine
CID 170223504
1-N,1-N-bis(4-tert-butylphenyl)-3-N-(4-tert-butyl-2-phenylphenyl)-5-methyl-3-N-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)benzene-1,3-diamine
CID 166497789
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-2-amine
CID 170277086
9,9-dimethyl-N,N-bis(2-phenylphenyl)fluoren-2-amine
CID 118245783
N-(9,9-dimethylfluoren-4-yl)-1',1',3,3-tetramethyl-N-(2-phenylphenyl)-1,3'-spirobi[2H-indene]-5-amine
CID 178037014
2-phenyl-N-(2-phenylphenyl)-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764732
N,2-diphenyl-N-[2-(5,5,8,8-tetramethyl-6,7-dihydroanthracen-2-yl)phenyl]aniline
CID 176764804
N,N-bis(3-phenylphenyl)-2-(1,1,3,3-tetramethyl-2H-inden-5-yl)aniline
CID 167260382

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
The IUPAC name of N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine (CID 176751677) is N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine is CC1(C)CCC(C)(C)c2cc(N(c3ccc(Br)c(I)c3)c3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
The InChIKey is ROEQZBKFRPNBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrIN/c1-31(2)18-19-32(3,4)27-20-23(14-16-26(27)31)35(24-15-17-28(33)29(34)21-24)30-13-9-8-12-25(30)22-10-6-5-7-11-22/h5-17,20-21H,18-19H2,1-4H3.
What are the key properties of N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine?
N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine has a molecular weight of 636.42 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-5,5,8,8-tetramethyl-N-(2-phenylphenyl)-6,7-dihydronaphthalen-2-amine is sourced from PubChem (CID 176751677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).