8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine

C46H27N3O — CID 134393744

IUPAC8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3c(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)nc3c2c1
InChIInChI=1S/C46H27N3O/c1-2-14-31-26-41-38(25-30(31)13-1)35-19-7-8-22-40(35)49(41)32-23-24-42-39(27-32)44-45(50-42)43(36-20-9-15-28-11-3-5-17-33(28)36)47-46(48-44)37-21-10-16-29-12-4-6-18-34(29)37/h1-27H
InChIKeyVKRWXVTYPDHYAZ-UHFFFAOYSA-N
MW637.74 g/mol
LogP12.27
Rot. Bonds3

About 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine

8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 134393744) has the molecular formula C46H27N3O and a molecular weight of 637.74 g/mol. Its IUPAC name is 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID134393744
Molecular FormulaC46H27N3O
Molecular Weight637.74 g/mol
Exact Mass637.22
IUPAC Name8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3c(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)nc3c2c1
InChIInChI=1S/C46H27N3O/c1-2-14-31-26-41-38(25-30(31)13-1)35-19-7-8-22-40(35)49(41)32-23-24-42-39(27-32)44-45(50-42)43(36-20-9-15-28-11-3-5-17-33(28)36)47-46(48-44)37-21-10-16-29-12-4-6-18-34(29)37/h1-27H
InChIKeyVKRWXVTYPDHYAZ-UHFFFAOYSA-N
XLogP12.27
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.74
LogP ≤ 512.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzo[b]carbazol-5-ylphenyl)-4-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 146181682
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 167043577
8-carbazol-9-yl-2,4-di(triphenylen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 134394241
8-(8-carbazol-9-yldibenzofuran-1-yl)-2,4-diphenyl-[1]benzofuro[3,2-d]pyrimidine
CID 148990639
5-[8-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 155382790
5-[4-[4,6-di(anthracen-9-yl)-1,3,5-triazin-2-yl]-3-dibenzofuran-4-ylphenyl]benzo[b]carbazole
CID 155430458
5-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphtho[2,1-b][1]benzofuran-2-yl]benzo[b]carbazole
CID 163878525
2,8-di(carbazol-9-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 134394265
4-(7-benzo[b]carbazol-5-ylnaphtho[1,2-b][1]benzofuran-10-yl)-2-dibenzofuran-1-yl-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 174311983
5-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzo[b]carbazole
CID 146621999
2-(8-benzo[b]carbazol-5-yldibenzofuran-1-yl)-4-naphthalen-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 157477610
12-[8-[4-naphthalen-1-yl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-b][1]benzofuran-2-yl]-12-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaene
CID 155382643

Frequently Asked Questions

What is the IUPAC name of 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine (CID 134393744) is 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1ccc2oc3c(-c4cccc5ccccc45)nc(-c4cccc5ccccc45)nc3c2c1.
What is the InChIKey of 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VKRWXVTYPDHYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H27N3O/c1-2-14-31-26-41-38(25-30(31)13-1)35-19-7-8-22-40(35)49(41)32-23-24-42-39(27-32)44-45(50-42)43(36-20-9-15-28-11-3-5-17-33(28)36)47-46(48-44)37-21-10-16-29-12-4-6-18-34(29)37/h1-27H.
What are the key properties of 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine?
8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 637.74 g/mol, XLogP of 12.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzo[b]carbazol-5-yl-2,4-dinaphthalen-1-yl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 134393744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).