3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole

C44H27N — CID 90433316

IUPAC3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)[nH]c1cc(-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)ccc13
InChIInChI=1S/C44H27N/c1-2-12-28-25-42-39(23-27(28)11-1)34-22-21-30(26-41(34)45-42)43-35-17-7-9-19-37(35)44(38-20-10-8-18-36(38)43)40-24-29-13-3-4-14-31(29)32-15-5-6-16-33(32)40/h1-26,45H
InChIKeyORXBFGTVIYUNGZ-UHFFFAOYSA-N
MW569.71 g/mol
LogP12.42
Rot. Bonds2

About 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole

3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole (PubChem CID 90433316) has the molecular formula C44H27N and a molecular weight of 569.71 g/mol. Its IUPAC name is 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole.

Molecular Properties

Compound Name3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole
PubChem CID90433316
Molecular FormulaC44H27N
Molecular Weight569.71 g/mol
Exact Mass569.21
IUPAC Name3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole
SMILESc1ccc2cc3c(cc2c1)[nH]c1cc(-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)ccc13
InChIInChI=1S/C44H27N/c1-2-12-28-25-42-39(23-27(28)11-1)34-22-21-30(26-41(34)45-42)43-35-17-7-9-19-37(35)44(38-20-10-8-18-36(38)43)40-24-29-13-3-4-14-31(29)32-15-5-6-16-33(32)40/h1-26,45H
InChIKeyORXBFGTVIYUNGZ-UHFFFAOYSA-N
XLogP12.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.71
LogP ≤ 512.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-phenanthren-9-yl-10-(4-phenanthren-9-ylphenyl)anthracene
CID 59793080
2-[10-(4-phenylphenyl)anthracen-9-yl]-5H-benzo[b]carbazole
CID 90433276
9-phenanthren-9-yl-10-phenylanthracene
CID 59592440
7-phenanthren-9-yl-4-[4-(7-phenanthren-9-ylbenzo[a]anthracen-4-yl)phenyl]benzo[a]anthracene
CID 59412684
9-phenanthren-9-yl-2-phenyl-10-(4-phenylphenyl)anthracene
CID 58323135
2-phenyl-10-(10-phenylanthracen-9-yl)phenanthrene
CID 123229235
6-[10-(10-benzo[a]anthracen-6-ylanthracen-9-yl)anthracen-9-yl]benzo[a]anthracene
CID 59412752
5-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412578
9-phenanthren-9-yl-10-[4-(10-phenanthren-9-ylanthracen-9-yl)naphthalen-1-yl]anthracene
CID 59858844
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206
7-naphthalen-2-yl-4-(10-naphthalen-2-ylanthracen-9-yl)benzo[a]anthracene
CID 59412736
[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]boronic acid
CID 90071208

Frequently Asked Questions

What is the IUPAC name of 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole?
The IUPAC name of 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole (CID 90433316) is 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole.
What is the SMILES notation for 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole?
The canonical SMILES for 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole is c1ccc2cc3c(cc2c1)[nH]c1cc(-c2c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc24)ccc13.
What is the InChIKey of 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole?
The InChIKey is ORXBFGTVIYUNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N/c1-2-12-28-25-42-39(23-27(28)11-1)34-22-21-30(26-41(34)45-42)43-35-17-7-9-19-37(35)44(38-20-10-8-18-36(38)43)40-24-29-13-3-4-14-31(29)32-15-5-6-16-33(32)40/h1-26,45H.
What are the key properties of 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole?
3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole has a molecular weight of 569.71 g/mol, XLogP of 12.42, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-phenanthren-9-ylanthracen-9-yl)-5H-benzo[b]carbazole is sourced from PubChem (CID 90433316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).