2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine

C54H31N3O2 — CID 174312040

IUPAC2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2nc(-c4cc5ccccc5cc4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5oc6ccccc6c45)c23)cc1
InChIInChI=1S/C54H31N3O2/c1-2-13-32(14-3-1)37-25-26-40-49(31-37)59-54-51(40)52(41-21-12-24-48-50(41)39-20-9-11-23-47(39)58-48)55-53(56-54)43-28-34-16-5-7-18-36(34)30-46(43)57-44-22-10-8-19-38(44)42-27-33-15-4-6-17-35(33)29-45(42)57/h1-31H
InChIKeyGWOUUOWLMDYZMA-UHFFFAOYSA-N
MW753.86 g/mol
LogP14.68
Rot. Bonds4

About 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine

2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 174312040) has the molecular formula C54H31N3O2 and a molecular weight of 753.86 g/mol. Its IUPAC name is 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID174312040
Molecular FormulaC54H31N3O2
Molecular Weight753.86 g/mol
Exact Mass753.24
IUPAC Name2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2nc(-c4cc5ccccc5cc4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5oc6ccccc6c45)c23)cc1
InChIInChI=1S/C54H31N3O2/c1-2-13-32(14-3-1)37-25-26-40-49(31-37)59-54-51(40)52(41-21-12-24-48-50(41)39-20-9-11-23-47(39)58-48)55-53(56-54)43-28-34-16-5-7-18-36(34)30-46(43)57-44-22-10-8-19-38(44)42-27-33-15-4-6-17-35(33)29-45(42)57/h1-31H
InChIKeyGWOUUOWLMDYZMA-UHFFFAOYSA-N
XLogP14.68
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.86
LogP ≤ 514.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine 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

2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312038
4-(4-benzo[b]carbazol-5-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174311943
2,6-diphenyl-4-[8-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]dibenzofuran-1-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 170529246
5-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-5-yl]benzo[b]carbazole
CID 163768078
5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347497
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
12-[3-[4-carbazol-9-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 163792015
5-[3-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 166700154
5-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
CID 170253427
9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;9-[4-dibenzofuran-1-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 158555095
5-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]benzo[b]carbazole
CID 146491311
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 174312040) is 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc3c(c2)oc2nc(-c4cc5ccccc5cc4-n4c5ccccc5c5cc6ccccc6cc54)nc(-c4cccc5oc6ccccc6c45)c23)cc1.
What is the InChIKey of 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is GWOUUOWLMDYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3O2/c1-2-13-32(14-3-1)37-25-26-40-49(31-37)59-54-51(40)52(41-21-12-24-48-50(41)39-20-9-11-23-47(39)58-48)55-53(56-54)43-28-34-16-5-7-18-36(34)30-46(43)57-44-22-10-8-19-38(44)42-27-33-15-4-6-17-35(33)29-45(42)57/h1-31H.
What are the key properties of 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine has a molecular weight of 753.86 g/mol, XLogP of 14.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 174312040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).