(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol

C26H18N2O — CID 72946442

IUPAC(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2cc3ccccc3c3ccccc23)n1
InChIInChI=1S/C26H18N2O/c29-15-17-14-23-21-11-5-6-12-24(21)28-26(23)25(27-17)22-13-16-7-1-2-8-18(16)19-9-3-4-10-20(19)22/h1-14,28-29H,15H2
InChIKeyOOOJAUINYCHIIY-UHFFFAOYSA-N
MW374.44 g/mol
LogP6.18
Rot. Bonds2

About (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol

(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol (PubChem CID 72946442) has the molecular formula C26H18N2O and a molecular weight of 374.44 g/mol. Its IUPAC name is (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol.

Molecular Properties

Compound Name(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
PubChem CID72946442
Molecular FormulaC26H18N2O
Molecular Weight374.44 g/mol
Exact Mass374.14
IUPAC Name(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
SMILESOCc1cc2c([nH]c3ccccc32)c(-c2cc3ccccc3c3ccccc23)n1
InChIInChI=1S/C26H18N2O/c29-15-17-14-23-21-11-5-6-12-24(21)28-26(23)25(27-17)22-13-16-7-1-2-8-18(16)19-9-3-4-10-20(19)22/h1-14,28-29H,15H2
InChIKeyOOOJAUINYCHIIY-UHFFFAOYSA-N
XLogP6.18
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chlorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanol
CID 10686284
(1-phenyl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 130269845
(1-naphthalen-2-yl-9H-pyrido[3,4-b]indol-3-yl)methanol
CID 72946438
3-(hydroxymethyl)-2,9-dihydropyrido[3,4-b]indol-1-one
CID 135059722
[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl]methanamine
CID 122185830
16-azahexacyclo[12.11.0.02,11.05,10.015,23.017,22]pentacosa-1(14),2(11),3,5,7,9,12,15(23),17,19,21,24-dodecaene
CID 86153881
6-iodo-5H-benzo[b]carbazole
CID 166694598
1-(2-methylphenyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 175123310
1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol
CID 158526660
9H-carbazol-1-ylmethanol
CID 10987211
23-azaoctacyclo[16.15.0.02,15.05,14.06,11.021,33.022,30.024,29]tritriaconta-1(18),2(15),3,5(14),6,8,10,12,16,19,21(33),22(30),24,26,28,31-hexadecaene
CID 141416725
3-(hydroxymethyl)-11H-benzo[a]carbazol-2-ol
CID 44579437

Frequently Asked Questions

What is the IUPAC name of (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The IUPAC name of (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol (CID 72946442) is (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol.
What is the SMILES notation for (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The canonical SMILES for (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol is OCc1cc2c([nH]c3ccccc32)c(-c2cc3ccccc3c3ccccc23)n1.
What is the InChIKey of (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
The InChIKey is OOOJAUINYCHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O/c29-15-17-14-23-21-11-5-6-12-24(21)28-26(23)25(27-17)22-13-16-7-1-2-8-18(16)19-9-3-4-10-20(19)22/h1-14,28-29H,15H2.
What are the key properties of (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol?
(1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol has a molecular weight of 374.44 g/mol, XLogP of 6.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenanthren-9-yl-9H-pyrido[3,4-b]indol-3-yl)methanol is sourced from PubChem (CID 72946442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).