N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C64H67N — CID 177067898

IUPACN-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C1CCCC1)(C1CCCC1)c1c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cccc1-2
InChIInChI=1S/C64H67N/c1-61(2,3)47-39-55-54-27-18-26-51(59(54)64(45-21-12-13-22-45,46-23-14-15-24-46)60(55)58(40-47)62(4,5)6)44-31-35-49(36-32-44)65(48-33-29-43(30-34-48)42-19-10-9-11-20-42)50-37-38-53-52-25-16-17-28-56(52)63(7,8)57(53)41-50/h9-11,16-20,25-41,45-46H,12-15,21-24H2,1-8H3
InChIKeyKNWSUPCGYTYJBG-UHFFFAOYSA-N
MW850.25 g/mol
LogP18.04
Rot. Bonds7

About N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 177067898) has the molecular formula C64H67N and a molecular weight of 850.25 g/mol. Its IUPAC name is N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID177067898
Molecular FormulaC64H67N
Molecular Weight850.25 g/mol
Exact Mass849.53
IUPAC NameN-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C1CCCC1)(C1CCCC1)c1c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cccc1-2
InChIInChI=1S/C64H67N/c1-61(2,3)47-39-55-54-27-18-26-51(59(54)64(45-21-12-13-22-45,46-23-14-15-24-46)60(55)58(40-47)62(4,5)6)44-31-35-49(36-32-44)65(48-33-29-43(30-34-48)42-19-10-9-11-20-42)50-37-38-53-52-25-16-17-28-56(52)63(7,8)57(53)41-50/h9-11,16-20,25-41,45-46H,12-15,21-24H2,1-8H3
InChIKeyKNWSUPCGYTYJBG-UHFFFAOYSA-N
XLogP18.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.25
LogP ≤ 518.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-3-amine
CID 166464490
6',8'-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 168750154
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-9,9-dimethyl-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 170218178
N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155466839
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]fluoren-2-amine
CID 155280447
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-7-phenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541052
N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[3-[3-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159398373
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-[3-(4-cyclohexylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 161128856
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-[4-[3-tert-butyl-5-[3-tert-butyl-5-(3,5-ditert-butylphenyl)phenyl]phenyl]phenyl]-N-(4-cyclohexylphenyl)-9,9-dimethylfluoren-2-amine
CID 160500635
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-phenylfluoren-4-amine
CID 177067969
6,8-ditert-butyl-N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(2-phenylphenyl)-9-(3-phenylphenyl)fluoren-2-amine
CID 163768086

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 177067898) is N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is CC(C)(C)c1cc2c(c(C(C)(C)C)c1)C(C1CCCC1)(C1CCCC1)c1c(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)cc3)cccc1-2.
What is the InChIKey of N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is KNWSUPCGYTYJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H67N/c1-61(2,3)47-39-55-54-27-18-26-51(59(54)64(45-21-12-13-22-45,46-23-14-15-24-46)60(55)58(40-47)62(4,5)6)44-31-35-49(36-32-44)65(48-33-29-43(30-34-48)42-19-10-9-11-20-42)50-37-38-53-52-25-16-17-28-56(52)63(7,8)57(53)41-50/h9-11,16-20,25-41,45-46H,12-15,21-24H2,1-8H3.
What are the key properties of N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 850.25 g/mol, XLogP of 18.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,8-ditert-butyl-9,9-dicyclopentylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 177067898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).