6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine

C30H28BrN — CID 153445557

IUPAC6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C30H28BrN/c1-29(2)26-18-16-24(20-28(26)30(3,4)25-17-15-21(31)19-27(25)29)32(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-20H,1-4H3
InChIKeyPVRNBIMYVMZIRF-UHFFFAOYSA-N
MW482.47 g/mol
LogP8.88
Rot. Bonds3

About 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine

6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine (PubChem CID 153445557) has the molecular formula C30H28BrN and a molecular weight of 482.47 g/mol. Its IUPAC name is 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine.

Molecular Properties

Compound Name6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
PubChem CID153445557
Molecular FormulaC30H28BrN
Molecular Weight482.47 g/mol
Exact Mass481.14
IUPAC Name6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine
SMILESCC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(C)(C)c2ccc(Br)cc21
InChIInChI=1S/C30H28BrN/c1-29(2)26-18-16-24(20-28(26)30(3,4)25-17-15-21(31)19-27(25)29)32(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-20H,1-4H3
InChIKeyPVRNBIMYVMZIRF-UHFFFAOYSA-N
XLogP8.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.47
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-tert-butylphenyl)-9,9,10,10-tetramethyl-N-phenylanthracen-2-amine
CID 167340397
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
N-(4-bromophenyl)-9,9-dimethyl-N-phenylxanthen-2-amine
CID 164714079
7-bromo-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 18694816
8,8,13,13-tetramethyl-5-N,5-N,16-N,16-N-tetraphenylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene-5,16-diamine
CID 59181773
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
24-bromo-9,9,18,18,27,27-hexaethyl-6-N,6-N,15-N,15-N-tetraphenylheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3(8),4,6,10,12(17),13,15,19,21(26),22,24-dodecaene-6,15-diamine
CID 23650746
2-bromo-6,6,12,12-tetramethylindeno[1,2-b]fluorene;N,4-diphenylaniline;6,6,12,12-tetramethyl-N-phenyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-2-amine
CID 158074097
7-[7-[7-[7-bromo-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-bis(3-methylbutyl)fluoren-2-yl]-9,9-bis(3-methylbutyl)-N,N-diphenylfluoren-2-amine
CID 59348451
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
7-bromo-9-cyclopenta-1,3-dien-1-yl-N,N,9-triphenylfluoren-2-amine
CID 144990340
CID 23590222
CID 23590222

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine?
The IUPAC name of 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine (CID 153445557) is 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine.
What is the SMILES notation for 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine?
The canonical SMILES for 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine is CC1(C)c2ccc(N(c3ccccc3)c3ccccc3)cc2C(C)(C)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine?
The InChIKey is PVRNBIMYVMZIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28BrN/c1-29(2)26-18-16-24(20-28(26)30(3,4)25-17-15-21(31)19-27(25)29)32(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-20H,1-4H3.
What are the key properties of 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine?
6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine has a molecular weight of 482.47 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9,9,10,10-tetramethyl-N,N-diphenylanthracen-2-amine is sourced from PubChem (CID 153445557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).