N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine

C37H34Br2FN — CID 147984412

IUPACN,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)cc(F)c2C(C)(C)C1(C)C
InChIInChI=1S/C37H34Br2FN/c1-35(2)31-21-23(22-32(40)34(31)36(3,4)37(35,5)6)28-19-20-33(30-10-8-7-9-29(28)30)41(26-15-11-24(38)12-16-26)27-17-13-25(39)14-18-27/h7-22H,1-6H3
InChIKeyITVXFLLMAWEGSM-UHFFFAOYSA-N
MW671.49 g/mol
LogP12.24
Rot. Bonds4

About N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine

N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine (PubChem CID 147984412) has the molecular formula C37H34Br2FN and a molecular weight of 671.49 g/mol. Its IUPAC name is N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine
PubChem CID147984412
Molecular FormulaC37H34Br2FN
Molecular Weight671.49 g/mol
Exact Mass669.10
IUPAC NameN,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine
SMILESCC1(C)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)cc(F)c2C(C)(C)C1(C)C
InChIInChI=1S/C37H34Br2FN/c1-35(2)31-21-23(22-32(40)34(31)36(3,4)37(35,5)6)28-19-20-33(30-10-8-7-9-29(28)30)41(26-15-11-24(38)12-16-26)27-17-13-25(39)14-18-27/h7-22H,1-6H3
InChIKeyITVXFLLMAWEGSM-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.49
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(4-bromophenyl)-2-(2,2,3,3,4,5,5,6,6-nonamethyl-9-tricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trienyl)aniline
CID 142500271
1-N,3-N-bis[3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)phenyl]-1-N,3-N-diphenylbenzene-1,3-diamine
CID 142500793
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetrafluoro-2-benzofuran-5-yl)naphthalen-1-amine
CID 148635885
N,N-bis(4-bromophenyl)-4-(1,1,3,3-tetraethyl-2-benzofuran-5-yl)naphthalen-1-amine
CID 142500541
N-cyclohexa-1,5-dien-1-yl-3-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)-4-methyl-N-phenylaniline
CID 142500116
4-[[4-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)naphthalen-1-yl]-naphthalen-2-ylamino]benzonitrile
CID 121419347
4-[17-[4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)naphthalen-1-yl]-8,8,14,14-tetramethyl-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-5-yl]-N,N-bis(4-tert-butylphenyl)naphthalen-1-amine
CID 89074513
4-(8,8,14,14,22,22-hexamethyl-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)-N-naphthalen-1-yl-N-phenylnaphthalen-1-amine
CID 70885891
N,N-bis(4-bromophenyl)-2-(4,6,7-trideuterio-1,1,2,2,3,3-hexamethylinden-5-yl)dibenzofuran-4-amine
CID 154592939
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
4-bromo-N,N-diphenylaniline;N-(4-bromophenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;N-(4-bromophenyl)-N,4-diphenylaniline;N-(4-bromophenyl)-N-phenylnaphthalen-1-amine;N-(4-bromophenyl)-N-phenylnaphthalen-2-amine
CID 159957183
N-(4-phenylphenyl)-N-[4-(5-phenylthiophen-2-yl)phenyl]-4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)naphthalen-1-yl]naphthalen-1-amine
CID 90201483

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine?
The IUPAC name of N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine (CID 147984412) is N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine.
What is the SMILES notation for N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine?
The canonical SMILES for N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine is CC1(C)c2cc(-c3ccc(N(c4ccc(Br)cc4)c4ccc(Br)cc4)c4ccccc34)cc(F)c2C(C)(C)C1(C)C.
What is the InChIKey of N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine?
The InChIKey is ITVXFLLMAWEGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34Br2FN/c1-35(2)31-21-23(22-32(40)34(31)36(3,4)37(35,5)6)28-19-20-33(30-10-8-7-9-29(28)30)41(26-15-11-24(38)12-16-26)27-17-13-25(39)14-18-27/h7-22H,1-6H3.
What are the key properties of N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine?
N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine has a molecular weight of 671.49 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-bromophenyl)-4-(7-fluoro-1,1,2,2,3,3-hexamethylinden-5-yl)naphthalen-1-amine is sourced from PubChem (CID 147984412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).