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

C81H93N — CID 166021023

IUPAC9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5c(C6CCCCCCC6)cc(C6CCCCCCC6)cc5C5CCCCCCC5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C81H93N/c1-79(2,3)64-43-47-66(48-44-64)81(67-49-45-65(46-50-67)80(4,5)6)75-39-27-25-38-71(75)72-54-53-69(57-76(72)81)82(77-40-28-26-37-70(77)59-31-23-16-24-32-59)68-51-41-62(42-52-68)78-73(60-33-19-12-8-13-20-34-60)55-63(58-29-17-10-7-11-18-30-58)56-74(78)61-35-21-14-9-15-22-36-61/h16,23-28,31-32,37-58,60-61H,7-15,17-22,29-30,33-36H2,1-6H3
InChIKeyQGWZHUDWDZBOQE-UHFFFAOYSA-N
MW1080.64 g/mol
LogP23.93
Rot. Bonds10

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

9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 166021023) has the molecular formula C81H93N and a molecular weight of 1080.64 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine
PubChem CID166021023
Molecular FormulaC81H93N
Molecular Weight1080.64 g/mol
Exact Mass1079.73
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine
SMILESCC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5c(C6CCCCCCC6)cc(C6CCCCCCC6)cc5C5CCCCCCC5)cc4)c4ccccc4-c4ccccc4)cc32)cc1
InChIInChI=1S/C81H93N/c1-79(2,3)64-43-47-66(48-44-64)81(67-49-45-65(46-50-67)80(4,5)6)75-39-27-25-38-71(75)72-54-53-69(57-76(72)81)82(77-40-28-26-37-70(77)59-31-23-16-24-32-59)68-51-41-62(42-52-68)78-73(60-33-19-12-8-13-20-34-60)55-63(58-29-17-10-7-11-18-30-58)56-74(78)61-35-21-14-9-15-22-36-61/h16,23-28,31-32,37-58,60-61H,7-15,17-22,29-30,33-36H2,1-6H3
InChIKeyQGWZHUDWDZBOQE-UHFFFAOYSA-N
XLogP23.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001080.64
LogP ≤ 523.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]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-tricyclohexylphenyl)phenyl]fluoren-2-amine
CID 166020926
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-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine (CID 166021023) is 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine is CC(C)(C)c1ccc(C2(c3ccc(C(C)(C)C)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5c(C6CCCCCCC6)cc(C6CCCCCCC6)cc5C5CCCCCCC5)cc4)c4ccccc4-c4ccccc4)cc32)cc1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is QGWZHUDWDZBOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H93N/c1-79(2,3)64-43-47-66(48-44-64)81(67-49-45-65(46-50-67)80(4,5)6)75-39-27-25-38-71(75)72-54-53-69(57-76(72)81)82(77-40-28-26-37-70(77)59-31-23-16-24-32-59)68-51-41-62(42-52-68)78-73(60-33-19-12-8-13-20-34-60)55-63(58-29-17-10-7-11-18-30-58)56-74(78)61-35-21-14-9-15-22-36-61/h16,23-28,31-32,37-58,60-61H,7-15,17-22,29-30,33-36H2,1-6H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine?
9,9-bis(4-tert-butylphenyl)-N-(2-phenylphenyl)-N-[4-[2,4,6-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 1080.64 g/mol, XLogP of 23.93, 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-tri(cyclooctyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 166021023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).