1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol

C55H37N3O — CID 158526660

IUPAC1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol
SMILESOc1cc2ccccc2c2ccccc12.c1cc(-c2cccc(-c3cccc(-c4cccc5c4[nH]c4ccccc45)c3)n2)cc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C41H27N3.C14H10O/c1-3-20-38-32(14-1)34-18-7-16-30(40(34)43-38)26-10-5-12-28(24-26)36-22-9-23-37(42-36)29-13-6-11-27(25-29)31-17-8-19-35-33-15-2-4-21-39(33)44-41(31)35;15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-25,43-44H;1-9,15H
InChIKeyHMWDKGZEEREWFK-UHFFFAOYSA-N
MW755.92 g/mol
LogP14.72
Rot. Bonds4

About 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol

1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol (PubChem CID 158526660) has the molecular formula C55H37N3O and a molecular weight of 755.92 g/mol. Its IUPAC name is 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol.

Molecular Properties

Compound Name1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol
PubChem CID158526660
Molecular FormulaC55H37N3O
Molecular Weight755.92 g/mol
Exact Mass755.29
IUPAC Name1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol
SMILESOc1cc2ccccc2c2ccccc12.c1cc(-c2cccc(-c3cccc(-c4cccc5c4[nH]c4ccccc45)c3)n2)cc(-c2cccc3c2[nH]c2ccccc23)c1
InChIInChI=1S/C41H27N3.C14H10O/c1-3-20-38-32(14-1)34-18-7-16-30(40(34)43-38)26-10-5-12-28(24-26)36-22-9-23-37(42-36)29-13-6-11-27(25-29)31-17-8-19-35-33-15-2-4-21-39(33)44-41(31)35;15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-25,43-44H;1-9,15H
InChIKeyHMWDKGZEEREWFK-UHFFFAOYSA-N
XLogP14.72
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.92
LogP ≤ 514.72
H-Bond Donors ≤ 53
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-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
3-(9H-carbazol-1-yl)benzenecarbothioamide
CID 178117209
1-(3-pyridin-3-ylphenyl)-9H-carbazole
CID 154284139
1-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-9H-carbazole
CID 155673306
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
3-(9H-carbazol-1-yl)aniline
CID 67501137
8-(3-phenanthren-9-ylphenyl)-7H-benzo[c]carbazole
CID 142753002
2-(1,3-benzothiazol-2-yl)-4-(9H-carbazol-1-yl)phenol
CID 141250779
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-[2,3,6-tris(9H-carbazol-1-yl)-4-pyridinyl]-9H-carbazole
CID 154262736
1-[2-(4-chloro-2-phenanthren-9-ylphenyl)phenyl]-9H-carbazole
CID 175930440

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol?
The IUPAC name of 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol (CID 158526660) is 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol.
What is the SMILES notation for 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol?
The canonical SMILES for 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol is Oc1cc2ccccc2c2ccccc12.c1cc(-c2cccc(-c3cccc(-c4cccc5c4[nH]c4ccccc45)c3)n2)cc(-c2cccc3c2[nH]c2ccccc23)c1.
What is the InChIKey of 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol?
The InChIKey is HMWDKGZEEREWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N3.C14H10O/c1-3-20-38-32(14-1)34-18-7-16-30(40(34)43-38)26-10-5-12-28(24-26)36-22-9-23-37(42-36)29-13-6-11-27(25-29)31-17-8-19-35-33-15-2-4-21-39(33)44-41(31)35;15-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-25,43-44H;1-9,15H.
What are the key properties of 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol?
1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol has a molecular weight of 755.92 g/mol, XLogP of 14.72, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[3-(9H-carbazol-1-yl)phenyl]-2-pyridinyl]phenyl]-9H-carbazole;phenanthren-9-ol is sourced from PubChem (CID 158526660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).