N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

C52H39FN2 — CID 134399215

IUPACN-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cc(F)c3ccccc3c21
InChIInChI=1S/C52H39FN2/c1-52(2)46-21-13-12-18-41(46)42-31-30-40(32-47(42)52)55(38-26-22-35(23-27-38)34-14-6-4-7-15-34)39-28-24-36(25-29-39)49-45-33-48(53)43-19-10-11-20-44(43)51(45)54(3)50(49)37-16-8-5-9-17-37/h4-33H,1-3H3
InChIKeyXJQQFJFJZJLXQU-UHFFFAOYSA-N
MW710.90 g/mol
LogP14.25
Rot. Bonds6

About N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 134399215) has the molecular formula C52H39FN2 and a molecular weight of 710.90 g/mol. Its IUPAC name is N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID134399215
Molecular FormulaC52H39FN2
Molecular Weight710.90 g/mol
Exact Mass710.31
IUPAC NameN-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cc(F)c3ccccc3c21
InChIInChI=1S/C52H39FN2/c1-52(2)46-21-13-12-18-41(46)42-31-30-40(32-47(42)52)55(38-26-22-35(23-27-38)34-14-6-4-7-15-34)39-28-24-36(25-29-39)49-45-33-48(53)43-19-10-11-20-44(43)51(45)54(3)50(49)37-16-8-5-9-17-37/h4-33H,1-3H3
InChIKeyXJQQFJFJZJLXQU-UHFFFAOYSA-N
XLogP14.25
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.90
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5-fluoro-1,2-diphenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 134399176
N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121447558
9,9-dimethyl-N-[4-(1-methyl-2,4,5-triphenylpyrrol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121450570
9,9-dimethyl-N-[4-[1-methyl-2-phenyl-5-(trifluoromethyl)indol-3-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 121447557
N-(9,9-dimethylfluoren-2-yl)-1-methyl-N-(4-naphthalen-2-ylphenyl)-2,3-diphenylphenanthro[9,10-b]pyrrol-6-amine
CID 134396601
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(1,2,3-triphenylbenzo[g]indol-6-yl)phenyl]fluoren-2-amine
CID 58161674
N-[4-[4-(1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445484
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
N-(9,9-dimethylfluoren-2-yl)-N-[4-(2,3-diphenylpyrrolo[1,2-f]phenanthridin-1-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 134394229
9,9-dimethyl-N-[4-(3-methyl-1,2-diphenylbenzo[e]indol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 134395156
N-[4-(6-fluoro-1,2-diphenylphenanthro[9,10-b]pyrrol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121445497
N-[4-(1-methyl-2-phenylindol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 139408685

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine (CID 134399215) is N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is Cn1c(-c2ccccc2)c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)c2cc(F)c3ccccc3c21.
What is the InChIKey of N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is XJQQFJFJZJLXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H39FN2/c1-52(2)46-21-13-12-18-41(46)42-31-30-40(32-47(42)52)55(38-26-22-35(23-27-38)34-14-6-4-7-15-34)39-28-24-36(25-29-39)49-45-33-48(53)43-19-10-11-20-44(43)51(45)54(3)50(49)37-16-8-5-9-17-37/h4-33H,1-3H3.
What are the key properties of N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 710.90 g/mol, XLogP of 14.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoro-1-methyl-2-phenylbenzo[g]indol-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 134399215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).