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

C60H33N3O3 — CID 174311983

IUPAC4-(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
SMILESc1ccc(-c2ccc3oc4c(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5oc5c7ccccc7ccc56)nc(-c5cccc6oc7ccccc7c56)nc4c3c2)cc1
InChIInChI=1S/C60H33N3O3/c1-2-13-34(14-3-1)38-26-30-51-46(32-38)56-59(65-51)55(61-60(62-56)43-21-12-24-52-53(43)41-20-9-11-23-50(41)64-52)44-28-29-48(54-42-27-25-35-15-6-7-18-39(35)57(42)66-58(44)54)63-47-22-10-8-19-40(47)45-31-36-16-4-5-17-37(36)33-49(45)63/h1-33H
InChIKeyCURWNEBIVCUNSB-UHFFFAOYSA-N
MW843.94 g/mol
LogP16.58
Rot. Bonds4

About 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

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 (PubChem CID 174311983) has the molecular formula C60H33N3O3 and a molecular weight of 843.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID174311983
Molecular FormulaC60H33N3O3
Molecular Weight843.94 g/mol
Exact Mass843.25
IUPAC Name4-(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
SMILESc1ccc(-c2ccc3oc4c(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5oc5c7ccccc7ccc56)nc(-c5cccc6oc7ccccc7c56)nc4c3c2)cc1
InChIInChI=1S/C60H33N3O3/c1-2-13-34(14-3-1)38-26-30-51-46(32-38)56-59(65-51)55(61-60(62-56)43-21-12-24-52-53(43)41-20-9-11-23-50(41)64-52)44-28-29-48(54-42-27-25-35-15-6-7-18-39(35)57(42)66-58(44)54)63-47-22-10-8-19-40(47)45-31-36-16-4-5-17-37(36)33-49(45)63/h1-33H
InChIKeyCURWNEBIVCUNSB-UHFFFAOYSA-N
XLogP16.58
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.94
LogP ≤ 516.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

5-[10-(4-carbazol-9-yl-6-dibenzofuran-1-yl-1,3,5-triazin-2-yl)naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 167347761
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[10-[4-phenanthren-2-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166699413
5-[2-naphtho[1,2-b][1]benzofuran-7-yl-4-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155474711
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[10-[4-(9-phenylcarbazol-3-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-7-yl]benzo[b]carbazole
CID 166700028
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
4,8-diphenyl-2-[4-[8-(9-phenylcarbazol-3-yl)benzo[a]carbazol-11-yl]triphenylen-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 174312017
5-[4-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 166699493
5-[1-[4-dibenzofuran-4-yl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-4-yl]benzo[b]carbazole;12-[1-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-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;5-[7-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[1,2-b][1]benzofuran-10-yl]benzo[b]carbazole
CID 164962466
2-phenyl-4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-8-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 168826463
2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312038

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc3oc4c(-c5ccc(-n6c7ccccc7c7cc8ccccc8cc76)c6c5oc5c7ccccc7ccc56)nc(-c5cccc6oc7ccccc7c56)nc4c3c2)cc1.
What is the InChIKey of 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?
The InChIKey is CURWNEBIVCUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H33N3O3/c1-2-13-34(14-3-1)38-26-30-51-46(32-38)56-59(65-51)55(61-60(62-56)43-21-12-24-52-53(43)41-20-9-11-23-50(41)64-52)44-28-29-48(54-42-27-25-35-15-6-7-18-39(35)57(42)66-58(44)54)63-47-22-10-8-19-40(47)45-31-36-16-4-5-17-37(36)33-49(45)63/h1-33H.
What are the key properties of 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?
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 has a molecular weight of 843.94 g/mol, XLogP of 16.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 174311983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).