9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole

C45H29NO — CID 176777757

IUPAC9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4oc5ccccc5c34)ccc21
InChIInChI=1S/C45H29NO/c1-46-39-16-8-6-12-34(39)38-27-33(24-25-40(38)46)42-35-13-4-5-14-36(35)43(45-44(42)37-15-7-9-17-41(37)47-45)30-21-18-29(19-22-30)32-23-20-28-10-2-3-11-31(28)26-32/h2-27H,1H3
InChIKeyOKLJEWRKYMZRQS-UHFFFAOYSA-N
MW599.73 g/mol
LogP12.54
Rot. Bonds3

About 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole

9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole (PubChem CID 176777757) has the molecular formula C45H29NO and a molecular weight of 599.73 g/mol. Its IUPAC name is 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole
PubChem CID176777757
Molecular FormulaC45H29NO
Molecular Weight599.73 g/mol
Exact Mass599.22
IUPAC Name9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole
SMILESCn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4oc5ccccc5c34)ccc21
InChIInChI=1S/C45H29NO/c1-46-39-16-8-6-12-34(39)38-27-33(24-25-40(38)46)42-35-13-4-5-14-36(35)43(45-44(42)37-15-7-9-17-41(37)47-45)30-21-18-29(19-22-30)32-23-20-28-10-2-3-11-31(28)26-32/h2-27H,1H3
InChIKeyOKLJEWRKYMZRQS-UHFFFAOYSA-N
XLogP12.54
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.73
LogP ≤ 512.54
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
3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
CID 176777793
11-(9,9-dimethylfluoren-2-yl)-6-(4-naphthalen-2-ylphenyl)naphtho[2,3-b][1]benzofuran
CID 176777590
9-tert-butyl-3-[11-(4-naphthalen-1-ylphenyl)naphtho[2,3-b][1]benzofuran-6-yl]carbazole
CID 176777823
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine
CID 162712671
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
6-[4-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568966
11-naphthalen-2-yl-6-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
11-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaene
CID 88568745
6-[3-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,3-b][1]benzofuran
CID 88568957
5-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-9,14-dioxahexacyclo[11.11.0.02,10.03,8.015,24.016,21]tetracosa-1(13),2(10),3(8),4,6,11,15(24),16,18,20,22-undecaene
CID 130190186

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole?
The IUPAC name of 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole (CID 176777757) is 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole.
What is the SMILES notation for 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole?
The canonical SMILES for 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole is Cn1c2ccccc2c2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4oc5ccccc5c34)ccc21.
What is the InChIKey of 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole?
The InChIKey is OKLJEWRKYMZRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29NO/c1-46-39-16-8-6-12-34(39)38-27-33(24-25-40(38)46)42-35-13-4-5-14-36(35)43(45-44(42)37-15-7-9-17-41(37)47-45)30-21-18-29(19-22-30)32-23-20-28-10-2-3-11-31(28)26-32/h2-27H,1H3.
What are the key properties of 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole?
9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole has a molecular weight of 599.73 g/mol, XLogP of 12.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-[6-(4-naphthalen-2-ylphenyl)naphtho[3,2-b][1]benzofuran-11-yl]carbazole is sourced from PubChem (CID 176777757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).