9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole

C48H35NO — CID 176777822

IUPAC9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole
SMILESCC(C)(C)n1c2cccc(-c3ccccc3)c2c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3oc3ccccc34)c21
InChIInChI=1S/C48H35NO/c1-48(2,3)49-40-25-14-22-34(31-16-5-4-6-17-31)43(40)38-23-13-24-39(46(38)49)44-36-20-10-9-19-35(36)42(33-28-27-30-15-7-8-18-32(30)29-33)45-37-21-11-12-26-41(37)50-47(44)45/h4-29H,1-3H3
InChIKeyUYNDVWGZLULNIB-UHFFFAOYSA-N
MW641.81 g/mol
LogP13.76
Rot. Bonds3

About 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole

9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole (PubChem CID 176777822) has the molecular formula C48H35NO and a molecular weight of 641.81 g/mol. Its IUPAC name is 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole.

Molecular Properties

Compound Name9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole
PubChem CID176777822
Molecular FormulaC48H35NO
Molecular Weight641.81 g/mol
Exact Mass641.27
IUPAC Name9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole
SMILESCC(C)(C)n1c2cccc(-c3ccccc3)c2c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3oc3ccccc34)c21
InChIInChI=1S/C48H35NO/c1-48(2,3)49-40-25-14-22-34(31-16-5-4-6-17-31)43(40)38-23-13-24-39(46(38)49)44-36-20-10-9-19-35(36)42(33-28-27-30-15-7-8-18-32(30)29-33)45-37-21-11-12-26-41(37)50-47(44)45/h4-29H,1-3H3
InChIKeyUYNDVWGZLULNIB-UHFFFAOYSA-N
XLogP13.76
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.81
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(9-phenyldibenzofuran-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777646
11-naphthalen-2-yl-6-(7-phenyldibenzofuran-1-yl)naphtho[2,3-b][1]benzofuran
CID 176777762
6-naphthalen-2-yl-11-(9-phenyldibenzothiophen-3-yl)naphtho[2,3-b][1]benzofuran
CID 176777632
3-(6-naphthalen-2-ylnaphtho[3,2-b][1]benzofuran-11-yl)-9-phenylcarbazole
CID 176777793
1-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran
CID 118563907
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
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916
2,4-diphenyl-6-[7-(6-phenylnaphtho[3,2-b][1]benzofuran-11-yl)naphthalen-2-yl]-1,3,5-triazine
CID 162712671
2-(10-naphthalen-2-ylanthracen-9-yl)-6-phenyldibenzofuran
CID 155334995
7-[4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-8-naphtho[2,3-b][1]benzofuran-6-ylbenzo[c]carbazole
CID 142571759

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole?
The IUPAC name of 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole (CID 176777822) is 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole.
What is the SMILES notation for 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole?
The canonical SMILES for 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole is CC(C)(C)n1c2cccc(-c3ccccc3)c2c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4c3oc3ccccc34)c21.
What is the InChIKey of 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole?
The InChIKey is UYNDVWGZLULNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35NO/c1-48(2,3)49-40-25-14-22-34(31-16-5-4-6-17-31)43(40)38-23-13-24-39(46(38)49)44-36-20-10-9-19-35(36)42(33-28-27-30-15-7-8-18-32(30)29-33)45-37-21-11-12-26-41(37)50-47(44)45/h4-29H,1-3H3.
What are the key properties of 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole?
9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole has a molecular weight of 641.81 g/mol, XLogP of 13.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-1-(11-naphthalen-2-ylnaphtho[2,3-b][1]benzofuran-6-yl)-5-phenylcarbazole is sourced from PubChem (CID 176777822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).