9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

C57H43N — CID 170529489

IUPAC9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(-c3cccc(-c4ccccc4)c3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C57H43N/c1-57(2)53-28-16-27-50(45-23-13-6-14-24-45)56(53)52-38-51(47-26-15-25-46(37-47)42-21-11-5-12-22-42)55(39-54(52)57)58(48-33-29-43(30-34-48)40-17-7-3-8-18-40)49-35-31-44(32-36-49)41-19-9-4-10-20-41/h3-39H,1-2H3
InChIKeyZGBCPMZLOCYKKV-UHFFFAOYSA-N
MW741.98 g/mol
LogP15.80
Rot. Bonds8

About 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 170529489) has the molecular formula C57H43N and a molecular weight of 741.98 g/mol. Its IUPAC name is 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID170529489
Molecular FormulaC57H43N
Molecular Weight741.98 g/mol
Exact Mass741.34
IUPAC Name9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(-c3cccc(-c4ccccc4)c3)cc2-c2c(-c3ccccc3)cccc21
InChIInChI=1S/C57H43N/c1-57(2)53-28-16-27-50(45-23-13-6-14-24-45)56(53)52-38-51(47-26-15-25-46(37-47)42-21-11-5-12-22-42)55(39-54(52)57)58(48-33-29-43(30-34-48)40-17-7-3-8-18-40)49-35-31-44(32-36-49)41-19-9-4-10-20-41/h3-39H,1-2H3
InChIKeyZGBCPMZLOCYKKV-UHFFFAOYSA-N
XLogP15.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.98
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-5-naphthalen-2-yl-3-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529491
6,6,12,12-tetramethyl-10-phenyl-N-[4-(3-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 142541107
N-[4-(9,9-dimethyl-5-phenylfluoren-3-yl)phenyl]-N,4-diphenylaniline
CID 169039821
3-(9,9-dimethylfluoren-4-yl)-N-[3-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 154972984
N,4-diphenyl-N-[4-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-4-yl)phenyl]phenyl]aniline
CID 155095533
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
9,9-dimethyl-3-[4-(N-phenylanilino)phenyl]-N-(3-phenylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 156545394
3-(9,9-dimethyl-5-phenylfluoren-3-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 169039754
N,N-bis[4-(1-adamantyl)phenyl]-9,9-dimethyl-3,5-diphenylfluoren-2-amine
CID 170529514
6,6,12,12-tetramethyl-N,10-diphenyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 138455850
9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)-N,3,5-triphenylfluoren-2-amine
CID 170529453
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 170529489) is 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)c(-c3cccc(-c4ccccc4)c3)cc2-c2c(-c3ccccc3)cccc21.
What is the InChIKey of 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is ZGBCPMZLOCYKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43N/c1-57(2)53-28-16-27-50(45-23-13-6-14-24-45)56(53)52-38-51(47-26-15-25-46(37-47)42-21-11-5-12-22-42)55(39-54(52)57)58(48-33-29-43(30-34-48)40-17-7-3-8-18-40)49-35-31-44(32-36-49)41-19-9-4-10-20-41/h3-39H,1-2H3.
What are the key properties of 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 741.98 g/mol, XLogP of 15.80, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-5-phenyl-3-(3-phenylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 170529489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).