9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine

C67H67N — CID 166021010

IUPAC9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
SMILESCCCC(CC)c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccc(C5CCCCC5)cc3)(c3ccc(C5CCCCC5)cc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H67N/c1-3-18-48(4-2)51-29-31-52(32-30-51)55-37-43-59(44-38-55)68(66-28-17-15-25-61(66)56-23-12-7-13-24-56)60-45-46-63-62-26-14-16-27-64(62)67(65(63)47-60,57-39-33-53(34-40-57)49-19-8-5-9-20-49)58-41-35-54(36-42-58)50-21-10-6-11-22-50/h7,12-17,23-50H,3-6,8-11,18-22H2,1-2H3
InChIKeyYKNVGMMTFIXNFJ-UHFFFAOYSA-N
MW886.28 g/mol
LogP19.24
Rot. Bonds13

About 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine

9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 166021010) has the molecular formula C67H67N and a molecular weight of 886.28 g/mol. Its IUPAC name is 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID166021010
Molecular FormulaC67H67N
Molecular Weight886.28 g/mol
Exact Mass885.53
IUPAC Name9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
SMILESCCCC(CC)c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccc(C5CCCCC5)cc3)(c3ccc(C5CCCCC5)cc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C67H67N/c1-3-18-48(4-2)51-29-31-52(32-30-51)55-37-43-59(44-38-55)68(66-28-17-15-25-61(66)56-23-12-7-13-24-56)60-45-46-63-62-26-14-16-27-64(62)67(65(63)47-60,57-39-33-53(34-40-57)49-19-8-5-9-20-49)58-41-35-54(36-42-58)50-21-10-6-11-22-50/h7,12-17,23-50H,3-6,8-11,18-22H2,1-2H3
InChIKeyYKNVGMMTFIXNFJ-UHFFFAOYSA-N
XLogP19.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.28
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
N-[4-[4-[4-(N-[4-(4-cyclohexylphenyl)phenyl]anilino)phenyl]-2,5-diphenylphenyl]phenyl]-N,9,9-triphenylfluoren-2-amine
CID 176611605
9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine
CID 166021023
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-N-[2-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 159790785
9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine
CID 166020926
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
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
9-phenyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9-[4-(trimethyl-λ4-sulfanyl)phenyl]fluoren-2-amine
CID 144558373
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine;N-[4-[4-[4-(3,6-dicyclopentylcarbazol-9-yl)phenyl]phenyl]phenyl]-9,9-diphenyl-N-[2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 159778200
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(3,4,5-tritert-butylphenyl)phenyl]fluoren-2-amine
CID 166021012

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine (CID 166021010) is 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine is CCCC(CC)c1ccc(-c2ccc(N(c3ccc4c(c3)C(c3ccc(C5CCCCC5)cc3)(c3ccc(C5CCCCC5)cc3)c3ccccc3-4)c3ccccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is YKNVGMMTFIXNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H67N/c1-3-18-48(4-2)51-29-31-52(32-30-51)55-37-43-59(44-38-55)68(66-28-17-15-25-61(66)56-23-12-7-13-24-56)60-45-46-63-62-26-14-16-27-64(62)67(65(63)47-60,57-39-33-53(34-40-57)49-19-8-5-9-20-49)58-41-35-54(36-42-58)50-21-10-6-11-22-50/h7,12-17,23-50H,3-6,8-11,18-22H2,1-2H3.
What are the key properties of 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine?
9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 886.28 g/mol, XLogP of 19.24, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 166021010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).