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

C54H31N3O2 — CID 174312038

IUPAC2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5oc6ccccc6c45)c23)cc1
InChIInChI=1S/C54H31N3O2/c1-2-13-32(14-3-1)35-25-26-41-49(31-35)59-54-51(41)52(42-21-12-24-48-50(42)40-20-9-11-23-47(40)58-48)55-53(56-54)39-27-28-45(37-18-7-6-17-36(37)39)57-44-22-10-8-19-38(44)43-29-33-15-4-5-16-34(33)30-46(43)57/h1-31H
InChIKeyJDUZVKHDXOSZJX-UHFFFAOYSA-N
MW753.86 g/mol
LogP14.68
Rot. Bonds4

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

2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine (PubChem CID 174312038) has the molecular formula C54H31N3O2 and a molecular weight of 753.86 g/mol. Its IUPAC name is 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
PubChem CID174312038
Molecular FormulaC54H31N3O2
Molecular Weight753.86 g/mol
Exact Mass753.24
IUPAC Name2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
SMILESc1ccc(-c2ccc3c(c2)oc2nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5oc6ccccc6c45)c23)cc1
InChIInChI=1S/C54H31N3O2/c1-2-13-32(14-3-1)35-25-26-41-49(31-35)59-54-51(41)52(42-21-12-24-48-50(42)40-20-9-11-23-47(40)58-48)55-53(56-54)39-27-28-45(37-18-7-6-17-36(37)39)57-44-22-10-8-19-38(44)43-29-33-15-4-5-16-34(33)30-46(43)57/h1-31H
InChIKeyJDUZVKHDXOSZJX-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

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Related Compounds

2-(3-benzo[b]carbazol-5-ylnaphthalen-2-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174312040
4-(4-benzo[b]carbazol-5-yldibenzofuran-1-yl)-2,6-diphenyl-[1]benzofuro[2,3-d]pyrimidine
CID 174311943
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-[4-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]dibenzofuran-3-yl]phenyl]benzo[b]carbazole
CID 170253427
5-[1-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 164715102
5-[5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-3-phenylbenzo[b]carbazole;5-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 157483368
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[1-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]benzo[b]carbazole
CID 164714677
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
7-[2-(2-phenyl-[1]benzofuro[2,3-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 130334153
9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole
CID 166917822
12-[4-(4-dibenzofuran-3-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)phenyl]-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 155450612

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The IUPAC name of 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine (CID 174312038) is 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine is c1ccc(-c2ccc3c(c2)oc2nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5ccccc45)nc(-c4cccc5oc6ccccc6c45)c23)cc1.
What is the InChIKey of 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
The InChIKey is JDUZVKHDXOSZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H31N3O2/c1-2-13-32(14-3-1)35-25-26-41-49(31-35)59-54-51(41)52(42-21-12-24-48-50(42)40-20-9-11-23-47(40)58-48)55-53(56-54)39-27-28-45(37-18-7-6-17-36(37)39)57-44-22-10-8-19-38(44)43-29-33-15-4-5-16-34(33)30-46(43)57/h1-31H.
What are the key properties of 2-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine?
2-(4-benzo[b]carbazol-5-ylnaphthalen-1-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-(4-benzo[b]carbazol-5-ylnaphthalen-1-yl)-4-dibenzofuran-1-yl-7-phenyl-[1]benzofuro[2,3-d]pyrimidine is sourced from PubChem (CID 174312038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).