3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one

C55H36N2O2 — CID 142288894

IUPAC3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3cccc(-c4ccc5c(c4)c4ccc(N(c6ccccc6)c6ccccc6)cc4n5-c4cccc(-c5ccccc5)c4)c3)ccc12
InChIInChI=1S/C55H36N2O2/c58-55-48-24-10-11-25-53(48)59-54-35-42(26-29-49(54)55)39-17-12-16-38(32-39)41-27-31-51-50(34-41)47-30-28-46(56(43-19-6-2-7-20-43)44-21-8-3-9-22-44)36-52(47)57(51)45-23-13-18-40(33-45)37-14-4-1-5-15-37/h1-36H
InChIKeySLUAOASFVJTQIR-UHFFFAOYSA-N
MW756.91 g/mol
LogP14.51
Rot. Bonds7

About 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one

3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one (PubChem CID 142288894) has the molecular formula C55H36N2O2 and a molecular weight of 756.91 g/mol. Its IUPAC name is 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one
PubChem CID142288894
Molecular FormulaC55H36N2O2
Molecular Weight756.91 g/mol
Exact Mass756.28
IUPAC Name3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one
SMILESO=c1c2ccccc2oc2cc(-c3cccc(-c4ccc5c(c4)c4ccc(N(c6ccccc6)c6ccccc6)cc4n5-c4cccc(-c5ccccc5)c4)c3)ccc12
InChIInChI=1S/C55H36N2O2/c58-55-48-24-10-11-25-53(48)59-54-35-42(26-29-49(54)55)39-17-12-16-38(32-39)41-27-31-51-50(34-41)47-30-28-46(56(43-19-6-2-7-20-43)44-21-8-3-9-22-44)36-52(47)57(51)45-23-13-18-40(33-45)37-14-4-1-5-15-37/h1-36H
InChIKeySLUAOASFVJTQIR-UHFFFAOYSA-N
XLogP14.51
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 514.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-dibenzofuran-3-yl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 153012599
N-[4-(3-carbazol-9-ylphenyl)phenyl]-3-(4-dibenzofuran-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 147399536
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 153314608
N-(3-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-3-(3-phenylphenyl)aniline
CID 153315131
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 148685552
N-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-4-(4-phenylphenyl)aniline
CID 153314610
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
N-(3-carbazol-9-ylphenyl)-N-[4-(4-dibenzofuran-3-ylphenyl)phenyl]-3-phenylaniline
CID 153314771
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-dibenzofuran-3-ylphenyl)phenyl]triphenylen-2-amine
CID 153315214
N,N-bis(4-phenylphenyl)dibenzofuran-3-amine;4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 161469744
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
N-dibenzofuran-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-amine;4-phenyl-N,N-bis[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-phenyl-4-(9-phenylcarbazol-3-yl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 158933576

Frequently Asked Questions

What is the IUPAC name of 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one?
The IUPAC name of 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one (CID 142288894) is 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one.
What is the SMILES notation for 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one?
The canonical SMILES for 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one is O=c1c2ccccc2oc2cc(-c3cccc(-c4ccc5c(c4)c4ccc(N(c6ccccc6)c6ccccc6)cc4n5-c4cccc(-c5ccccc5)c4)c3)ccc12.
What is the InChIKey of 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one?
The InChIKey is SLUAOASFVJTQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2O2/c58-55-48-24-10-11-25-53(48)59-54-35-42(26-29-49(54)55)39-17-12-16-38(32-39)41-27-31-51-50(34-41)47-30-28-46(56(43-19-6-2-7-20-43)44-21-8-3-9-22-44)36-52(47)57(51)45-23-13-18-40(33-45)37-14-4-1-5-15-37/h1-36H.
What are the key properties of 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one?
3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one has a molecular weight of 756.91 g/mol, XLogP of 14.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[7-(N-phenylanilino)-9-(3-phenylphenyl)carbazol-3-yl]phenyl]xanthen-9-one is sourced from PubChem (CID 142288894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).