9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine

C75H81N — CID 166020926

IUPAC9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5c(C6CCCCC6)cc(C6CCCCC6)cc5C5CCCCC5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C75H81N/c1-73(2,3)58-37-41-60(42-38-58)75(61-43-39-59(40-44-61)74(4,5)6)69-33-21-19-32-65(69)66-48-47-63(51-70(66)75)76(71-34-22-20-31-64(71)53-25-13-8-14-26-53)62-45-35-56(36-46-62)72-67(54-27-15-9-16-28-54)49-57(52-23-11-7-12-24-52)50-68(72)55-29-17-10-18-30-55/h8,13-14,19-22,25-26,31-52,54-55H,7,9-12,15-18,23-24,27-30H2,1-6H3
InChIKeyMSOHVKHXFNTMHK-UHFFFAOYSA-N
MW996.48 g/mol
LogP21.59
Rot. Bonds10

About 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine

9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine (PubChem CID 166020926) has the molecular formula C75H81N and a molecular weight of 996.48 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine
PubChem CID166020926
Molecular FormulaC75H81N
Molecular Weight996.48 g/mol
Exact Mass995.64
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5c(C6CCCCC6)cc(C6CCCCC6)cc5C5CCCCC5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C75H81N/c1-73(2,3)58-37-41-60(42-38-58)75(61-43-39-59(40-44-61)74(4,5)6)69-33-21-19-32-65(69)66-48-47-63(51-70(66)75)76(71-34-22-20-31-64(71)53-25-13-8-14-26-53)62-45-35-56(36-46-62)72-67(54-27-15-9-16-28-54)49-57(52-23-11-7-12-24-52)50-68(72)55-29-17-10-18-30-55/h8,13-14,19-22,25-26,31-52,54-55H,7,9-12,15-18,23-24,27-30H2,1-6H3
InChIKeyMSOHVKHXFNTMHK-UHFFFAOYSA-N
XLogP21.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500996.48
LogP ≤ 521.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine
CID 166021023
9,9-bis(4-tert-butylphenyl)-N,N-bis(4-cyclohexylphenyl)fluoren-2-amine
CID 166020872
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine
CID 155467234
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
2',7'-ditert-butyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 162363447
9-(4-tert-butylphenyl)-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-5,9-bis(4-phenylphenyl)fluoren-2-amine
CID 155153830
N-[4-(2-cyclohexylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 156557066
9,9-bis(4-cyclohexylphenyl)-N-[4-(4-hexan-3-ylphenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 166021010
N,9,9-tris(4-cyclohexylphenyl)-N-[4-(4-cyclooctylphenyl)phenyl]fluoren-2-amine
CID 166021013
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 177067003
N-(4-tert-butylphenyl)-2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylfluoren-9-yl)phenyl]aniline
CID 170304684

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine (CID 166020926) is 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5c(C6CCCCC6)cc(C6CCCCC6)cc5C5CCCCC5)cc4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine?
The InChIKey is MSOHVKHXFNTMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H81N/c1-73(2,3)58-37-41-60(42-38-58)75(61-43-39-59(40-44-61)74(4,5)6)69-33-21-19-32-65(69)66-48-47-63(51-70(66)75)76(71-34-22-20-31-64(71)53-25-13-8-14-26-53)62-45-35-56(36-46-62)72-67(54-27-15-9-16-28-54)49-57(52-23-11-7-12-24-52)50-68(72)55-29-17-10-18-30-55/h8,13-14,19-22,25-26,31-52,54-55H,7,9-12,15-18,23-24,27-30H2,1-6H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine?
9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine has a molecular weight of 996.48 g/mol, XLogP of 21.59, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-(2,4,6-tricyclohexylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 166020926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).