N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine

C74H59N — CID 177066968

IUPACN-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
SMILESCc1ccc(C2(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)c4cccc5c4C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C74H59N/c1-50-27-37-58(38-28-50)73(59-43-33-53(34-44-59)52-17-8-6-9-18-52)67-24-14-12-21-63(67)65-48-47-62(49-69(65)73)75(61-45-35-55(36-46-61)54-31-41-56(42-32-54)72(3,4)5)70-26-16-23-66-64-22-13-15-25-68(64)74(71(66)70,57-19-10-7-11-20-57)60-39-29-51(2)30-40-60/h6-49H,1-5H3
InChIKeyPGYBDJQIHRNTHH-UHFFFAOYSA-N
MW962.29 g/mol
LogP19.13
Rot. Bonds9

About N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine

N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine (PubChem CID 177066968) has the molecular formula C74H59N and a molecular weight of 962.29 g/mol. Its IUPAC name is N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine.

Molecular Properties

Compound NameN-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
PubChem CID177066968
Molecular FormulaC74H59N
Molecular Weight962.29 g/mol
Exact Mass961.46
IUPAC NameN-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine
SMILESCc1ccc(C2(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)c4cccc5c4C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C74H59N/c1-50-27-37-58(38-28-50)73(59-43-33-53(34-44-59)52-17-8-6-9-18-52)67-24-14-12-21-63(67)65-48-47-62(49-69(65)73)75(61-45-35-55(36-46-61)54-31-41-56(42-32-54)72(3,4)5)70-26-16-23-66-64-22-13-15-25-68(64)74(71(66)70,57-19-10-7-11-20-57)60-39-29-51(2)30-40-60/h6-49H,1-5H3
InChIKeyPGYBDJQIHRNTHH-UHFFFAOYSA-N
XLogP19.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.29
LogP ≤ 519.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[9,9-bis(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9,9-bis(4-phenylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158846091
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-1-amine
CID 121381614
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
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 121285751
2',7'-dimethyl-N,N-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 146541622
N-[9,9-bis(3-tert-butylphenyl)fluoren-1-yl]-2-tert-butyl-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 177067110
9,9-diphenyl-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 90277808
9,9-bis(4-tert-butylphenyl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]fluoren-2-amine
CID 170216975
9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-phenylfluoren-3-yl]-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 177067075
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
CID 177067063
N-(4-methylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-2-amine
CID 121381203

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine?
The IUPAC name of 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) is N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine.
What is the SMILES notation for N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine?
The canonical SMILES for N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine is Cc1ccc(C2(c3ccc(-c4ccccc4)cc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccc(C(C)(C)C)cc5)cc4)c4cccc5c4C(c4ccccc4)(c4ccc(C)cc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine?
The InChIKey is PGYBDJQIHRNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H59N/c1-50-27-37-58(38-28-50)73(59-43-33-53(34-44-59)52-17-8-6-9-18-52)67-24-14-12-21-63(67)65-48-47-62(49-69(65)73)75(61-45-35-55(36-46-61)54-31-41-56(42-32-54)72(3,4)5)70-26-16-23-66-64-22-13-15-25-68(64)74(71(66)70,57-19-10-7-11-20-57)60-39-29-51(2)30-40-60/h6-49H,1-5H3.
What are the key properties of N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine?
N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine has a molecular weight of 962.29 g/mol, XLogP of 19.13, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butylphenyl)phenyl]-9-(4-methylphenyl)-N-[9-(4-methylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenylfluoren-1-amine is sourced from PubChem (CID 177066968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).