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

C104H87BrN2 — CID 165097884

IUPAC1-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
SMILESBrc1ccc(C2CCCCC2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C52H43N.C40H29N.C12H15Br/c1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52;1-39(2)33-15-7-3-11-27(33)31-21-19-25(23-37(31)39)41-26-20-22-32-30-14-6-10-18-36(30)40(38(32)24-26)34-16-8-4-12-28(34)29-13-5-9-17-35(29)40;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-13,16-34H,3-5,14-15H2,1-2H3;3-24,41H,1-2H3;6-10H,1-5H2
InChIKeyXUWRTKKFNYEKSK-UHFFFAOYSA-N
MW1444.76 g/mol
LogP28.43
Rot. Bonds7

About 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

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 (PubChem CID 165097884) has the molecular formula C104H87BrN2 and a molecular weight of 1444.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID165097884
Molecular FormulaC104H87BrN2
Molecular Weight1444.76 g/mol
Exact Mass1442.61
IUPAC Name1-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
SMILESBrc1ccc(C2CCCCC2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21
InChIInChI=1S/C52H43N.C40H29N.C12H15Br/c1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52;1-39(2)33-15-7-3-11-27(33)31-21-19-25(23-37(31)39)41-26-20-22-32-30-14-6-10-18-36(30)40(38(32)24-26)34-16-8-4-12-28(34)29-13-5-9-17-35(29)40;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-13,16-34H,3-5,14-15H2,1-2H3;3-24,41H,1-2H3;6-10H,1-5H2
InChIKeyXUWRTKKFNYEKSK-UHFFFAOYSA-N
XLogP28.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms107
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001444.76
LogP ≤ 528.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

1-bromo-4-(4-bromophenyl)benzene;N-[4-(4-bromophenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158338012
1-bromo-2-cyclohexylbenzene;N-(2-cyclohexylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 164961388
1-bromo-4-iodobenzene;N-(4-bromophenyl)-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine;2-[(4-cyclohexylphenyl)methyl]-9,9-dimethylfluorene
CID 157429348
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
9-(4-bromophenyl)-10-phenylanthracene;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-[4-(10-phenylanthracen-9-yl)phenyl]fluoren-2-amine
CID 159169386
2-N,8-N-bis(4-cyclohexylphenyl)-2-N,8-N-diphenylspiro[benzo[b]fluorene-11,9'-fluorene]-2,8-diamine
CID 139568403
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,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
5-N-(9,9-dimethylfluoren-2-yl)-3-N,3-N-diphenyl-1-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3,5-triamine
CID 139380071
7-cyclohexyl-N-[9-(3-cyclohexylphenyl)-9-phenylfluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 165040410

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Brc1ccc(C2CCCCC2)cc1.CC1(C)c2ccccc2-c2ccc(N(c3ccc(C4CCCCC4)cc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.CC1(C)c2ccccc2-c2ccc(Nc3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc21.
What is the InChIKey of 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?
The InChIKey is XUWRTKKFNYEKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H43N.C40H29N.C12H15Br/c1-51(2)45-20-10-6-16-39(45)43-30-28-37(32-49(43)51)53(36-26-24-35(25-27-36)34-14-4-3-5-15-34)38-29-31-44-42-19-9-13-23-48(42)52(50(44)33-38)46-21-11-7-17-40(46)41-18-8-12-22-47(41)52;1-39(2)33-15-7-3-11-27(33)31-21-19-25(23-37(31)39)41-26-20-22-32-30-14-6-10-18-36(30)40(38(32)24-26)34-16-8-4-12-28(34)29-13-5-9-17-35(29)40;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h6-13,16-34H,3-5,14-15H2,1-2H3;3-24,41H,1-2H3;6-10H,1-5H2.
What are the key properties of 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?
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 has a molecular weight of 1444.76 g/mol, XLogP of 28.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165097884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).