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

C69H57N — CID 177067063

IUPACN-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
SMILESCC(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C69H57N/c1-47(2)48-29-33-54(34-30-48)68(52-21-11-7-12-22-52)63-27-17-15-25-59(63)61-43-41-57(45-65(61)68)70(56-39-31-50(32-40-56)49-19-9-6-10-20-49)58-42-44-62-60-26-16-18-28-64(60)69(66(62)46-58,53-23-13-8-14-24-53)55-37-35-51(36-38-55)67(3,4)5/h6-47H,1-5H3
InChIKeyWHSDFKVDQAYCLH-UHFFFAOYSA-N
MW900.22 g/mol
LogP17.97
Rot. Bonds9

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

N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine (PubChem CID 177067063) has the molecular formula C69H57N and a molecular weight of 900.22 g/mol. Its IUPAC name is N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
PubChem CID177067063
Molecular FormulaC69H57N
Molecular Weight900.22 g/mol
Exact Mass899.45
IUPAC NameN-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine
SMILESCC(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)cc1
InChIInChI=1S/C69H57N/c1-47(2)48-29-33-54(34-30-48)68(52-21-11-7-12-22-52)63-27-17-15-25-59(63)61-43-41-57(45-65(61)68)70(56-39-31-50(32-40-56)49-19-9-6-10-20-49)58-42-44-62-60-26-16-18-28-64(60)69(66(62)46-58,53-23-13-8-14-24-53)55-37-35-51(36-38-55)67(3,4)5/h6-47H,1-5H3
InChIKeyWHSDFKVDQAYCLH-UHFFFAOYSA-N
XLogP17.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500900.22
LogP ≤ 517.97
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
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
9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 121464320
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158206936
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
6-tert-butyl-9,9-bis(4-tert-butylphenyl)-N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 176622694
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-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2-tert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177067157
N-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]-2,7,7'-tritert-butyl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 177066973
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160
9-(4-tert-butylphenyl)-N-[9-(4-tert-butylphenyl)-9-(4-fluorophenyl)fluoren-2-yl]-N,9-diphenylfluoren-2-amine
CID 177067286

Frequently Asked Questions

What is the IUPAC name of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine?
The IUPAC name of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine (CID 177067063) is N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine is CC(C)c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(c4ccccc4)(c4ccc(C(C)(C)C)cc4)c4ccccc4-5)cc32)cc1.
What is the InChIKey of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine?
The InChIKey is WHSDFKVDQAYCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H57N/c1-47(2)48-29-33-54(34-30-48)68(52-21-11-7-12-22-52)63-27-17-15-25-59(63)61-43-41-57(45-65(61)68)70(56-39-31-50(32-40-56)49-19-9-6-10-20-49)58-42-44-62-60-26-16-18-28-64(60)69(66(62)46-58,53-23-13-8-14-24-53)55-37-35-51(36-38-55)67(3,4)5/h6-47H,1-5H3.
What are the key properties of N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine?
N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine has a molecular weight of 900.22 g/mol, XLogP of 17.97, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-(4-tert-butylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)-9-(4-propan-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 177067063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).