6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline

C55H34N4O — CID 146489479

IUPAC6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c4oc5ccccc5c4c3c2)cc1
InChIInChI=1S/C55H34N4O/c1-3-15-35(16-4-1)37-29-30-46-45(33-37)52-44-25-9-12-28-51(44)60-54(52)53(56-46)39-20-13-21-40(31-39)55-57-47(36-17-5-2-6-18-36)34-48(58-55)38-19-14-22-41(32-38)59-49-26-10-7-23-42(49)43-24-8-11-27-50(43)59/h1-34H
InChIKeyUDUGEYOSFZBVFD-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.36
Rot. Bonds6

About 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline

6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline (PubChem CID 146489479) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

Compound Name6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
PubChem CID146489479
Molecular FormulaC55H34N4O
Molecular Weight766.90 g/mol
Exact Mass766.27
IUPAC Name6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
SMILESc1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c4oc5ccccc5c4c3c2)cc1
InChIInChI=1S/C55H34N4O/c1-3-15-35(16-4-1)37-29-30-46-45(33-37)52-44-25-9-12-28-51(44)60-54(52)53(56-46)39-20-13-21-40(31-39)55-57-47(36-17-5-2-6-18-36)34-48(58-55)38-19-14-22-41(32-38)59-49-26-10-7-23-42(49)43-24-8-11-27-50(43)59/h1-34H
InChIKeyUDUGEYOSFZBVFD-UHFFFAOYSA-N
XLogP14.36
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline
CID 158919609
1-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-6-phenyl-[1]benzofuro[2,3-c]quinoline
CID 162455078
11-[4-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene;11-[4-[4-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1,3,5,7,10,12,14,16,18,20-decaene
CID 163679241
6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 129085845
6-[4-[6-(3-carbazol-9-ylphenyl)-2-naphthalen-2-ylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-[6-(3-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]naphthalen-1-yl]-[1]benzofuro[2,3-c]quinoline;6-[4-[6-phenyl-2-[3-(3-phenylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 163635656
6-[3-(4-dibenzofuran-2-yl-6-phenylpyrimidin-2-yl)phenyl]-3-(3-phenylphenyl)-[1]benzofuro[2,3-c]quinoline
CID 159864147
5-[3-[4-(4-carbazol-9-ylphenyl)-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[2-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline;5-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
CID 163980543
6-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-[1]benzofuro[2,3-c]quinoline
CID 157332504
9-[3-carbazol-9-yl-5-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158561754
11-[3-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-9-oxa-12-azapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),2(10),3,5,7,11,13,15,17,19-decaene
CID 162703565
2-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;2-[3-[4-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]phenyl]-14-phenyl-10-oxa-15-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 160763595
11-[3-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,11,13,15,17,19-decaene
CID 157473231

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
The IUPAC name of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline (CID 146489479) is 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline.
What is the SMILES notation for 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
The canonical SMILES for 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2ccc3nc(-c4cccc(-c5nc(-c6ccccc6)cc(-c6cccc(-n7c8ccccc8c8ccccc87)c6)n5)c4)c4oc5ccccc5c4c3c2)cc1.
What is the InChIKey of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
The InChIKey is UDUGEYOSFZBVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-3-15-35(16-4-1)37-29-30-46-45(33-37)52-44-25-9-12-28-51(44)60-54(52)53(56-46)39-20-13-21-40(31-39)55-57-47(36-17-5-2-6-18-36)34-48(58-55)38-19-14-22-41(32-38)59-49-26-10-7-23-42(49)43-24-8-11-27-50(43)59/h1-34H.
What are the key properties of 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline?
6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-2-phenyl-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 146489479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).