3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole

C44H27NO — CID 176777793

IUPAC3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C44H27NO/c1-2-14-32(15-3-1)45-38-20-10-8-16-33(38)37-27-31(24-25-39(37)45)41-34-17-6-7-18-35(34)42(30-23-22-28-12-4-5-13-29(28)26-30)44-43(41)36-19-9-11-21-40(36)46-44/h1-27H
InChIKeyCOGSNCZHRQZBCT-UHFFFAOYSA-N
MW585.71 g/mol
LogP12.32
Rot. Bonds3

About 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole

3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole (PubChem CID 176777793) has the molecular formula C44H27NO and a molecular weight of 585.71 g/mol. Its IUPAC name is 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
PubChem CID176777793
Molecular FormulaC44H27NO
Molecular Weight585.71 g/mol
Exact Mass585.21
IUPAC Name3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5oc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C44H27NO/c1-2-14-32(15-3-1)45-38-20-10-8-16-33(38)37-27-31(24-25-39(37)45)41-34-17-6-7-18-35(34)42(30-23-22-28-12-4-5-13-29(28)26-30)44-43(41)36-19-9-11-21-40(36)46-44/h1-27H
InChIKeyCOGSNCZHRQZBCT-UHFFFAOYSA-N
XLogP12.32
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.71
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-methyl-3-[11-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
CID 176777807
9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole
CID 176777757
3-[10-(20-oxahexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5(22),6,8(23),9,11,13(21),14(19),15,17-undecaen-16-yl)anthracen-9-yl]-9-phenylcarbazole
CID 155008109
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
CID 162489011
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800
3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 118231204
5-[1-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 164714738
9-(9-naphthalen-2-ylcarbazol-3-yl)-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 121343394
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;bis(9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole)
CID 161012876
1-dibenzofuran-2-yl-2-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;9-phenyl-2-[2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran-1-yl]carbazole
CID 167624935
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529

Frequently Asked Questions

What is the IUPAC name of 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole?
The IUPAC name of 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole (CID 176777793) is 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5oc6ccccc6c45)ccc32)cc1.
What is the InChIKey of 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole?
The InChIKey is COGSNCZHRQZBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27NO/c1-2-14-32(15-3-1)45-38-20-10-8-16-33(38)37-27-31(24-25-39(37)45)41-34-17-6-7-18-35(34)42(30-23-22-28-12-4-5-13-29(28)26-30)44-43(41)36-19-9-11-21-40(36)46-44/h1-27H.
What are the key properties of 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole?
3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole has a molecular weight of 585.71 g/mol, XLogP of 12.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole is sourced from PubChem (CID 176777793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).