5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole

C36H24N2O — CID 140899019

IUPAC5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccncc3c3cc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)ccc32)cc1
InChIInChI=1S/C36H24N2O/c1-3-11-25(12-4-1)36(30-15-7-9-17-34(30)39-35-18-10-8-16-31(35)36)26-19-20-32-28(23-26)29-24-37-22-21-33(29)38(32)27-13-5-2-6-14-27/h1-24H
InChIKeyKVRIKFDLWLSVQR-UHFFFAOYSA-N
MW500.60 g/mol
LogP8.67
Rot. Bonds3

About 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole

5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole (PubChem CID 140899019) has the molecular formula C36H24N2O and a molecular weight of 500.60 g/mol. Its IUPAC name is 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole.

Molecular Properties

Compound Name5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole
PubChem CID140899019
Molecular FormulaC36H24N2O
Molecular Weight500.60 g/mol
Exact Mass500.19
IUPAC Name5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole
SMILESc1ccc(-n2c3ccncc3c3cc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)ccc32)cc1
InChIInChI=1S/C36H24N2O/c1-3-11-25(12-4-1)36(30-15-7-9-17-34(30)39-35-18-10-8-16-31(35)36)26-19-20-32-28(23-26)29-24-37-22-21-33(29)38(32)27-13-5-2-6-14-27/h1-24H
InChIKeyKVRIKFDLWLSVQR-UHFFFAOYSA-N
XLogP8.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-3-(9-phenylxanthen-9-yl)carbazole
CID 134164714
3-(9,9-diphenylxanthen-2-yl)-6-isocyano-9-pyridin-3-ylcarbazole
CID 140711735
8-carbazol-9-yl-5-phenylpyrido[4,3-b]indole
CID 149133438
8-(9,9-diphenylxanthen-2-yl)-11-phenylbenzo[a]carbazole
CID 170038799
5-(3-pyrimidin-2-yl-9,9'-spirobi[xanthene]-3'-yl)pyrido[4,3-b]indole
CID 118698533
8-[9-[4-(1,3-diphenylpropyl)phenyl]xanthen-9-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163751212
2-bromo-9-phenyl-6-(9-phenylfluoren-9-yl)carbazole
CID 167214778
8-(4-bromophenyl)-5-phenylpyrido[4,3-b]indole
CID 70663911
9-phenyl-9-tetraphenylen-2-ylxanthene
CID 134164717
8-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-5-phenylpyrido[4,3-b]indole
CID 170060405
N-(9,9-diphenylfluoren-2-yl)-9-phenyl-6-(9-phenylfluoren-9-yl)-N-triphenylen-2-ylcarbazol-3-amine
CID 167334144
9-phenyl-3-spiro[fluorene-9,9'-xanthene]-2-ylcarbazole
CID 177298584

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole?
The IUPAC name of 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole (CID 140899019) is 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole.
What is the SMILES notation for 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole?
The canonical SMILES for 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole is c1ccc(-n2c3ccncc3c3cc(C4(c5ccccc5)c5ccccc5Oc5ccccc54)ccc32)cc1.
What is the InChIKey of 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole?
The InChIKey is KVRIKFDLWLSVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24N2O/c1-3-11-25(12-4-1)36(30-15-7-9-17-34(30)39-35-18-10-8-16-31(35)36)26-19-20-32-28(23-26)29-24-37-22-21-33(29)38(32)27-13-5-2-6-14-27/h1-24H.
What are the key properties of 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole?
5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole has a molecular weight of 500.60 g/mol, XLogP of 8.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-8-(9-phenylxanthen-9-yl)pyrido[4,3-b]indole is sourced from PubChem (CID 140899019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).