N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine

C37H28BrN — CID 144705202

IUPACN-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine
SMILESBrc1ccc(N(C2=CC=C3c4ccccc4C(c4ccccc4)(c4ccccc4)C3C2)c2ccccc2)cc1
InChIInChI=1S/C37H28BrN/c38-29-20-22-31(23-21-29)39(30-16-8-3-9-17-30)32-24-25-34-33-18-10-11-19-35(33)37(36(34)26-32,27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-25,36H,26H2
InChIKeyBXOULKJLBDMVMX-UHFFFAOYSA-N
MW566.54 g/mol
LogP9.92
Rot. Bonds5

About N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine

N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine (PubChem CID 144705202) has the molecular formula C37H28BrN and a molecular weight of 566.54 g/mol. Its IUPAC name is N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine
PubChem CID144705202
Molecular FormulaC37H28BrN
Molecular Weight566.54 g/mol
Exact Mass565.14
IUPAC NameN-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine
SMILESBrc1ccc(N(C2=CC=C3c4ccccc4C(c4ccccc4)(c4ccccc4)C3C2)c2ccccc2)cc1
InChIInChI=1S/C37H28BrN/c38-29-20-22-31(23-21-29)39(30-16-8-3-9-17-30)32-24-25-34-33-18-10-11-19-35(33)37(36(34)26-32,27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-25,36H,26H2
InChIKeyBXOULKJLBDMVMX-UHFFFAOYSA-N
XLogP9.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.54
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,7,7-tetraphenyl-7a,8-dihydrofluoreno[5,6-b][1]benzofuran-9-amine
CID 118486910
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-diphenyl-1,9a-dihydrofluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 170303968
9,9-dimethyl-2-N,7-N-dinaphthalen-2-yl-2-N,7-N-diphenyl-1,9a-dihydrofluorene-2,7-diamine
CID 70965340
9-(6-methylcyclohexa-1,3-dien-1-yl)-N-[4-(1-methyl-9-phenyl-1,2-dihydrocarbazol-3-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 146658014
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 129228869
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 134361033
5-N-(9,9-dimethyl-1,9a-dihydrofluoren-2-yl)-2-N,5-N,11,11-tetraphenyl-2-N-(4-phenylphenyl)-5a,9a-dihydrobenzo[b]fluorene-2,5-diamine
CID 134442883
4-phenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]cyclohexa-1,3-dien-1-yl]-N-(4-phenylphenyl)aniline
CID 70822819
7-bromo-N,N,9,9-tetraphenylfluoren-2-amine
CID 118632342
9,9-dimethyl-N-[4-(9-phenyl-5,6-dihydrocarbazol-3-yl)phenyl]-N-(3-phenylphenyl)-1,9a-dihydrofluoren-2-amine
CID 167280862
5-bromo-1-N,3-N-bis(9,9-diphenylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 88867924
9-cyclopentyl-9-phenylfluorene
CID 59853281

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine?
The IUPAC name of N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine (CID 144705202) is N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine?
The canonical SMILES for N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine is Brc1ccc(N(C2=CC=C3c4ccccc4C(c4ccccc4)(c4ccccc4)C3C2)c2ccccc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine?
The InChIKey is BXOULKJLBDMVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28BrN/c38-29-20-22-31(23-21-29)39(30-16-8-3-9-17-30)32-24-25-34-33-18-10-11-19-35(33)37(36(34)26-32,27-12-4-1-5-13-27)28-14-6-2-7-15-28/h1-25,36H,26H2.
What are the key properties of N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine?
N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine has a molecular weight of 566.54 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N,9,9-triphenyl-1,9a-dihydrofluoren-2-amine is sourced from PubChem (CID 144705202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).