8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine

C58H35N5O — CID 135163792

IUPAC8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ncnc7c6oc6ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc67)c5c4)ccc32)cc1
InChIInChI=1S/C58H35N5O/c1-2-12-40(13-3-1)61-51-20-10-7-17-45(51)47-32-38(25-30-53(47)61)39-24-29-46-44-16-6-11-21-52(44)63(54(46)34-39)58-57-56(59-35-60-58)48-33-37(26-31-55(48)64-57)36-22-27-41(28-23-36)62-49-18-8-4-14-42(49)43-15-5-9-19-50(43)62/h1-35H
InChIKeyLOJHSSPHPSQNKU-UHFFFAOYSA-N
MW817.95 g/mol
LogP15.00
Rot. Bonds5

About 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine

8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 135163792) has the molecular formula C58H35N5O and a molecular weight of 817.95 g/mol. Its IUPAC name is 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID135163792
Molecular FormulaC58H35N5O
Molecular Weight817.95 g/mol
Exact Mass817.28
IUPAC Name8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ncnc7c6oc6ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc67)c5c4)ccc32)cc1
InChIInChI=1S/C58H35N5O/c1-2-12-40(13-3-1)61-51-20-10-7-17-45(51)47-32-38(25-30-53(47)61)39-24-29-46-44-16-6-11-21-52(44)63(54(46)34-39)58-57-56(59-35-60-58)48-33-37(26-31-55(48)64-57)36-22-27-41(28-23-36)62-49-18-8-4-14-42(49)43-15-5-9-19-50(43)62/h1-35H
InChIKeyLOJHSSPHPSQNKU-UHFFFAOYSA-N
XLogP15.00
TPSA53.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.95
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-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

3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 158617353
4,8-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;8-carbazol-9-yl-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;8-carbazol-9-yl-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzothiolo[3,2-d]pyrimidine;8-carbazol-9-yl-4-[4-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 157309657
4-[4-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 126550768
8-dibenzofuran-4-yl-4-[4-[3-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163814
4-methyl-[1]benzofuro[3,2-d]pyrimidine;4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 145257771
8-carbazol-9-yl-4-[3-[5-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]naphthalen-1-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 135163806
4-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-1-yl]-8-[3-(3-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 168826475
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578602
4-[3-(3-carbazol-9-ylphenyl)phenyl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485295
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405

Frequently Asked Questions

What is the IUPAC name of 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 135163792) is 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ncnc7c6oc6ccc(-c8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8)cc67)c5c4)ccc32)cc1.
What is the InChIKey of 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is LOJHSSPHPSQNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N5O/c1-2-12-40(13-3-1)61-51-20-10-7-17-45(51)47-32-38(25-30-53(47)61)39-24-29-46-44-16-6-11-21-52(44)63(54(46)34-39)58-57-56(59-35-60-58)48-33-37(26-31-55(48)64-57)36-22-27-41(28-23-36)62-49-18-8-4-14-42(49)43-15-5-9-19-50(43)62/h1-35H.
What are the key properties of 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine?
8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 817.95 g/mol, XLogP of 15.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-carbazol-9-ylphenyl)-4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 135163792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).