9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine

C70H67N — CID 177067292

IUPAC9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
SMILESCC(C)c1cc(C(C)C)cc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C70H67N/c1-46(2)48-41-49(47(3)4)43-55(42-48)70(52-21-13-11-14-22-52)64-28-20-18-26-60(64)62-40-38-58(45-66(62)70)71(56-23-15-12-16-24-56)57-37-39-61-59-25-17-19-27-63(59)69(65(61)44-57,53-33-29-50(30-34-53)67(5,6)7)54-35-31-51(32-36-54)68(8,9)10/h11-47H,1-10H3
InChIKeyHWLVHLUYGLYTJT-UHFFFAOYSA-N
MW922.31 g/mol
LogP18.72
Rot. Bonds9

About 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine

9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine (PubChem CID 177067292) has the molecular formula C70H67N and a molecular weight of 922.31 g/mol. Its IUPAC name is 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine.

Molecular Properties

Compound Name9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
PubChem CID177067292
Molecular FormulaC70H67N
Molecular Weight922.31 g/mol
Exact Mass921.53
IUPAC Name9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
SMILESCC(C)c1cc(C(C)C)cc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)c1
InChIInChI=1S/C70H67N/c1-46(2)48-41-49(47(3)4)43-55(42-48)70(52-21-13-11-14-22-52)64-28-20-18-26-60(64)62-40-38-58(45-66(62)70)71(56-23-15-12-16-24-56)57-37-39-61-59-25-17-19-27-63(59)69(65(61)44-57,53-33-29-50(30-34-53)67(5,6)7)54-35-31-51(32-36-54)68(8,9)10/h11-47H,1-10H3
InChIKeyHWLVHLUYGLYTJT-UHFFFAOYSA-N
XLogP18.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500922.31
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
9,9-bis(4-tert-butylphenyl)-N-[9-(3,5-dimethylphenyl)-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine
CID 177067384
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286
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-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine
CID 155606293
9-(3-tert-butylphenyl)-N-[9-(3-tert-butylphenyl)-9-phenylfluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067246
2',7'-dimethyl-N-phenyl-N-[9-phenyl-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9'-spirobi[fluorene]-2-amine
CID 177067098
N-(4-tert-butylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-fluorophenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine;N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 162199344
5-[9-(4-tert-butylphenyl)-2-(N-[9-(2-tert-butylphenyl)-9-phenylfluoren-2-yl]anilino)fluoren-9-yl]benzene-1,3-dicarbonitrile
CID 177067023
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
The IUPAC name of 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine (CID 177067292) is 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine.
What is the SMILES notation for 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
The canonical SMILES for 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine is CC(C)c1cc(C(C)C)cc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccccc4)c4ccc5c(c4)C(c4ccc(C(C)(C)C)cc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)c1.
What is the InChIKey of 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
The InChIKey is HWLVHLUYGLYTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H67N/c1-46(2)48-41-49(47(3)4)43-55(42-48)70(52-21-13-11-14-22-52)64-28-20-18-26-60(64)62-40-38-58(45-66(62)70)71(56-23-15-12-16-24-56)57-37-39-61-59-25-17-19-27-63(59)69(65(61)44-57,53-33-29-50(30-34-53)67(5,6)7)54-35-31-51(32-36-54)68(8,9)10/h11-47H,1-10H3.
What are the key properties of 9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine?
9,9-bis(4-tert-butylphenyl)-N-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine has a molecular weight of 922.31 g/mol, XLogP of 18.72, 9 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-[9-[3,5-di(propan-2-yl)phenyl]-9-phenylfluoren-2-yl]-N-phenylfluoren-2-amine is sourced from PubChem (CID 177067292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).