N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine

C43H31FN2O — CID 126681143

IUPACN-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccc(F)cc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C43H31FN2O/c1-43(2)36-14-8-9-15-40(36)47-41-27-33(21-23-37(41)43)45(31-19-17-29(44)18-20-31)32-22-25-38-35(26-32)42-34-13-7-6-10-28(34)16-24-39(42)46(38)30-11-4-3-5-12-30/h3-27H,1-2H3
InChIKeyYERYAVQILYMBED-UHFFFAOYSA-N
MW610.73 g/mol
LogP11.98
Rot. Bonds4

About N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine

N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine (PubChem CID 126681143) has the molecular formula C43H31FN2O and a molecular weight of 610.73 g/mol. Its IUPAC name is N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine.

Molecular Properties

Compound NameN-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
PubChem CID126681143
Molecular FormulaC43H31FN2O
Molecular Weight610.73 g/mol
Exact Mass610.24
IUPAC NameN-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine
SMILESCC1(C)c2ccccc2Oc2cc(N(c3ccc(F)cc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)ccc21
InChIInChI=1S/C43H31FN2O/c1-43(2)36-14-8-9-15-40(36)47-41-27-33(21-23-37(41)43)45(31-19-17-29(44)18-20-31)32-22-25-38-35(26-32)42-34-13-7-6-10-28(34)16-24-39(42)46(38)30-11-4-3-5-12-30/h3-27H,1-2H3
InChIKeyYERYAVQILYMBED-UHFFFAOYSA-N
XLogP11.98
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.73
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine?
The IUPAC name of N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine (CID 126681143) is N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine.
What is the SMILES notation for N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine?
The canonical SMILES for N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine is CC1(C)c2ccccc2Oc2cc(N(c3ccc(F)cc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)ccc21.
What is the InChIKey of N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine?
The InChIKey is YERYAVQILYMBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31FN2O/c1-43(2)36-14-8-9-15-40(36)47-41-27-33(21-23-37(41)43)45(31-19-17-29(44)18-20-31)32-22-25-38-35(26-32)42-34-13-7-6-10-28(34)16-24-39(42)46(38)30-11-4-3-5-12-30/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine?
N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine has a molecular weight of 610.73 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylxanthen-3-yl)-N-(4-fluorophenyl)-7-phenylbenzo[c]carbazol-10-amine is sourced from PubChem (CID 126681143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).