N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine

C52H39N — CID 121285751

IUPACN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21
InChIInChI=1S/C52H39N/c1-51(2)46-26-14-12-24-43(46)45-25-16-28-49(50(45)51)53(40-31-29-37(30-32-40)36-17-6-3-7-18-36)41-33-34-44-42-23-13-15-27-47(42)52(48(44)35-41,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h3-35H,1-2H3
InChIKeyLERKQQQIVONYRS-UHFFFAOYSA-N
MW677.89 g/mol
LogP13.49
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine

N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine (PubChem CID 121285751) has the molecular formula C52H39N and a molecular weight of 677.89 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
PubChem CID121285751
Molecular FormulaC52H39N
Molecular Weight677.89 g/mol
Exact Mass677.31
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21
InChIInChI=1S/C52H39N/c1-51(2)46-26-14-12-24-43(46)45-25-16-28-49(50(45)51)53(40-31-29-37(30-32-40)36-17-6-3-7-18-36)41-33-34-44-42-23-13-15-27-47(42)52(48(44)35-41,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h3-35H,1-2H3
InChIKeyLERKQQQIVONYRS-UHFFFAOYSA-N
XLogP13.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.89
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[4-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-1-yl)amino]phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-1-amine
CID 155005492
9,9-dimethyl-N-(4-phenylphenyl)-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]fluoren-2-amine
CID 163787902
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;N-[4-(3,5-diphenylphenyl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 167649293
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118298338
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N-(9,9-dimethylfluoren-2-yl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 168750038
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylaniline
CID 146576437
N-(3,4-diphenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(3,4-diphenylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160568541
N-[2-[9,9-diphenyl-8-(4-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155153846
N-(9,9-diphenylfluoren-2-yl)-7,7-dimethyl-N-(4-phenylphenyl)benzo[a]phenalen-1-amine
CID 167232339
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2-amine
CID 167176324
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-amine
CID 118298327

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine (CID 121285751) is N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c21.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
The InChIKey is LERKQQQIVONYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39N/c1-51(2)46-26-14-12-24-43(46)45-25-16-28-49(50(45)51)53(40-31-29-37(30-32-40)36-17-6-3-7-18-36)41-33-34-44-42-23-13-15-27-47(42)52(48(44)35-41,38-19-8-4-9-20-38)39-21-10-5-11-22-39/h3-35H,1-2H3.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine?
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine has a molecular weight of 677.89 g/mol, XLogP of 13.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 121285751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).