N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine

C51H36FN3 — CID 138549073

IUPACN-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c5ccccc5n(-c5ccccc5)c34)c3cccc4c5cc(F)ccc5n(-c5ccccc5)c34)cc21
InChIInChI=1S/C51H36FN3/c1-51(2)43-23-11-9-19-37(43)38-29-28-36(32-44(38)51)53(47-25-13-21-40-39-20-10-12-24-45(39)54(49(40)47)34-15-5-3-6-16-34)48-26-14-22-41-42-31-33(52)27-30-46(42)55(50(41)48)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyXDORNUXJMSCIAD-UHFFFAOYSA-N
MW709.87 g/mol
LogP13.80
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine

N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine (PubChem CID 138549073) has the molecular formula C51H36FN3 and a molecular weight of 709.87 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine
PubChem CID138549073
Molecular FormulaC51H36FN3
Molecular Weight709.87 g/mol
Exact Mass709.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc4c5ccccc5n(-c5ccccc5)c34)c3cccc4c5cc(F)ccc5n(-c5ccccc5)c34)cc21
InChIInChI=1S/C51H36FN3/c1-51(2)43-23-11-9-19-37(43)38-29-28-36(32-44(38)51)53(47-25-13-21-40-39-20-10-12-24-45(39)54(49(40)47)34-15-5-3-6-16-34)48-26-14-22-41-42-31-33(52)27-30-46(42)55(50(41)48)35-17-7-4-8-18-35/h3-32H,1-2H3
InChIKeyXDORNUXJMSCIAD-UHFFFAOYSA-N
XLogP13.80
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.87
LogP ≤ 513.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[9-(3-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-1-amine;N-(9,9-dimethylfluoren-2-yl)-9-(3-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-1-amine;N-(3-fluorophenyl)-9-(3-phenylphenyl)-N-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-1-amine
CID 159878639
N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119634
6-fluoro-N,9-diphenyl-N-(9-phenylcarbazol-2-yl)carbazol-1-amine
CID 138549018
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]fluoren-2-amine
CID 139568156
N-(9,9-dimethylfluoren-2-yl)-N-(2,3-dinaphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine
CID 177097181
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-(9,9-dimethylfluoren-2-yl)-7-[9-(4-fluorophenyl)carbazol-3-yl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 59171791
N-(11,11-dimethylbenzo[a]fluoren-6-yl)-9-phenyl-N-(9,9,10,10-tetramethylphenanthren-2-yl)carbazol-1-amine
CID 163980978
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaen-12-yl)phenyl]fluoren-2-amine
CID 121369243

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine (CID 138549073) is N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc4c5ccccc5n(-c5ccccc5)c34)c3cccc4c5cc(F)ccc5n(-c5ccccc5)c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine?
The InChIKey is XDORNUXJMSCIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36FN3/c1-51(2)43-23-11-9-19-37(43)38-29-28-36(32-44(38)51)53(47-25-13-21-40-39-20-10-12-24-45(39)54(49(40)47)34-15-5-3-6-16-34)48-26-14-22-41-42-31-33(52)27-30-46(42)55(50(41)48)35-17-7-4-8-18-35/h3-32H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine?
N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine has a molecular weight of 709.87 g/mol, XLogP of 13.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-6-fluoro-9-phenyl-N-(9-phenylcarbazol-1-yl)carbazol-1-amine is sourced from PubChem (CID 138549073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).