N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine

C76H71N — CID 177066936

IUPACN-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine
SMILESCCc1cccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C(C)(C)C)cc2)c2ccccc2-3)c1
InChIInChI=1S/C76H71N/c1-11-51-22-21-23-52(48-51)62-26-17-20-31-71(62)77(61-44-46-65-63-27-15-18-29-67(63)76(70(65)50-61,56-24-13-12-14-25-56)59-42-36-55(37-43-59)74(8,9)10)60-45-47-69-66(49-60)64-28-16-19-30-68(64)75(69,57-38-32-53(33-39-57)72(2,3)4)58-40-34-54(35-41-58)73(5,6)7/h12-50H,11H2,1-10H3
InChIKeyCOPXPIVNGNOEPP-UHFFFAOYSA-N
MW998.41 g/mol
LogP20.00
Rot. Bonds9

About N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine

N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine (PubChem CID 177066936) has the molecular formula C76H71N and a molecular weight of 998.41 g/mol. Its IUPAC name is N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine
PubChem CID177066936
Molecular FormulaC76H71N
Molecular Weight998.41 g/mol
Exact Mass997.56
IUPAC NameN-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine
SMILESCCc1cccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C(C)(C)C)cc2)c2ccccc2-3)c1
InChIInChI=1S/C76H71N/c1-11-51-22-21-23-52(48-51)62-26-17-20-31-71(62)77(61-44-46-65-63-27-15-18-29-67(63)76(70(65)50-61,56-24-13-12-14-25-56)59-42-36-55(37-43-59)74(8,9)10)60-45-47-69-66(49-60)64-28-16-19-30-68(64)75(69,57-38-32-53(33-39-57)72(2,3)4)58-40-34-54(35-41-58)73(5,6)7/h12-50H,11H2,1-10H3
InChIKeyCOPXPIVNGNOEPP-UHFFFAOYSA-N
XLogP20.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500998.41
LogP ≤ 520.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-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]-2',7'-diethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 177067096
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
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-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
CID 177066968
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-diphenylfluoren-2-yl)-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 118298454
N-(4-tert-butylphenyl)-2-(9,9-diphenylfluoren-2-yl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170291967
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
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
9,9-diphenyl-7-(9-phenylfluoren-9-yl)-N-(2-phenylphenyl)-N-(4-phenylphenyl)fluoren-2-amine
CID 140919853
2',7'-ditert-butyl-N-(9,9-dimethylfluoren-1-yl)-N-[3-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-3-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[2-(4-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine;2',7'-ditert-butyl-N-(9,9-dimethylfluoren-4-yl)-N-[4-(3-ethylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158841600

Frequently Asked Questions

What is the IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine?
The IUPAC name of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine (CID 177066936) is N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine.
What is the SMILES notation for N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine?
The canonical SMILES for N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine is CCc1cccc(-c2ccccc2N(c2ccc3c(c2)-c2ccccc2C3(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(c2ccccc2)(c2ccc(C(C)(C)C)cc2)c2ccccc2-3)c1.
What is the InChIKey of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine?
The InChIKey is COPXPIVNGNOEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H71N/c1-11-51-22-21-23-52(48-51)62-26-17-20-31-71(62)77(61-44-46-65-63-27-15-18-29-67(63)76(70(65)50-61,56-24-13-12-14-25-56)59-42-36-55(37-43-59)74(8,9)10)60-45-47-69-66(49-60)64-28-16-19-30-68(64)75(69,57-38-32-53(33-39-57)72(2,3)4)58-40-34-54(35-41-58)73(5,6)7/h12-50H,11H2,1-10H3.
What are the key properties of N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine?
N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine has a molecular weight of 998.41 g/mol, XLogP of 20.00, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9,9-bis(4-tert-butylphenyl)fluoren-3-yl]-9-(4-tert-butylphenyl)-N-[2-(3-ethylphenyl)phenyl]-9-phenylfluoren-2-amine is sourced from PubChem (CID 177066936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).