1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene

C67H66Br2IN — CID 157429348

IUPAC1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene
SMILESBrc1ccc(I)cc1.CC1(C)c2ccccc2-c2ccc(Cc3ccc(C4CCCCC4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C33H32BrN.C28H30.C6H4BrI/c1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)35(27-18-14-25(34)15-19-27)26-16-12-24(13-17-26)23-8-4-3-5-9-23;1-28(2)26-11-7-6-10-24(26)25-17-14-21(19-27(25)28)18-20-12-15-23(16-13-20)22-8-4-3-5-9-22;7-5-1-3-6(8)4-2-5/h6-7,10-23H,3-5,8-9H2,1-2H3;6-7,10-17,19,22H,3-5,8-9,18H2,1-2H3;1-4H
InChIKeyBQIRGRMOJZFFGL-UHFFFAOYSA-N
MW1171.98 g/mol
LogP20.96
Rot. Bonds7

About 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene

1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene (PubChem CID 157429348) has the molecular formula C67H66Br2IN and a molecular weight of 1171.98 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene.

Molecular Properties

Compound Name1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene
PubChem CID157429348
Molecular FormulaC67H66Br2IN
Molecular Weight1171.98 g/mol
Exact Mass1169.26
IUPAC Name1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene
SMILESBrc1ccc(I)cc1.CC1(C)c2ccccc2-c2ccc(Cc3ccc(C4CCCCC4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(C4CCCCC4)cc3)cc21
InChIInChI=1S/C33H32BrN.C28H30.C6H4BrI/c1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)35(27-18-14-25(34)15-19-27)26-16-12-24(13-17-26)23-8-4-3-5-9-23;1-28(2)26-11-7-6-10-24(26)25-17-14-21(19-27(25)28)18-20-12-15-23(16-13-20)22-8-4-3-5-9-22;7-5-1-3-6(8)4-2-5/h6-7,10-23H,3-5,8-9H2,1-2H3;6-7,10-17,19,22H,3-5,8-9,18H2,1-2H3;1-4H
InChIKeyBQIRGRMOJZFFGL-UHFFFAOYSA-N
XLogP20.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001171.98
LogP ≤ 520.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene with MolForge

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Related Compounds

1-bromo-4-cyclohexylbenzene;N-(4-cyclohexylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 165097884
N-(4-tert-butylphenyl)-N-(4-cyclododecylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467214
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370
N-[3,5-bis(4-cyclohexylphenyl)phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 155467122
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[2,5-diphenyl-4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 176611487
N-[4-[5-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-N-[4-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 155466781
N-(4-cyclohexylphenyl)-9,9-dimethyl-N-[4-(2,3,5,6-tetraphenylphenyl)phenyl]fluoren-2-amine
CID 168771783
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155467210
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060419
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
N-(4-cyclohexylphenyl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-2-amine
CID 164774121

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene?
The IUPAC name of 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene (CID 157429348) is 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene.
What is the SMILES notation for 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene?
The canonical SMILES for 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene is Brc1ccc(I)cc1.CC1(C)c2ccccc2-c2ccc(Cc3ccc(C4CCCCC4)cc3)cc21.CC1(C)c2ccccc2-c2ccc(N(c3ccc(Br)cc3)c3ccc(C4CCCCC4)cc3)cc21.
What is the InChIKey of 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene?
The InChIKey is BQIRGRMOJZFFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32BrN.C28H30.C6H4BrI/c1-33(2)31-11-7-6-10-29(31)30-21-20-28(22-32(30)33)35(27-18-14-25(34)15-19-27)26-16-12-24(13-17-26)23-8-4-3-5-9-23;1-28(2)26-11-7-6-10-24(26)25-17-14-21(19-27(25)28)18-20-12-15-23(16-13-20)22-8-4-3-5-9-22;7-5-1-3-6(8)4-2-5/h6-7,10-23H,3-5,8-9H2,1-2H3;6-7,10-17,19,22H,3-5,8-9,18H2,1-2H3;1-4H.
What are the key properties of 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene?
1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene has a molecular weight of 1171.98 g/mol, XLogP of 20.96, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene is sourced from PubChem (CID 157429348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).