3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole

C164H99N7O2 — CID 157075177

IUPAC3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc4c(-c5ccncc5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3ccc4ccc5c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc6ccc3c4c65)ccc2c1.c1cncc(-c2ccc3ccc4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ccc2c3c54)c1
InChIInChI=1S/C44H26O.C42H26N4.C39H24N2.C39H23NO/c1-2-7-32-26-33(17-12-27(32)6-1)35-23-19-31-20-24-38-34(22-18-30-21-25-39(35)43(31)42(30)38)28-13-15-29(16-14-28)36-9-5-10-40-37-8-3-4-11-41(37)45-44(36)40;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-3-7-36-32(5-1)33-6-2-4-8-37(33)41(36)29-15-9-25(10-16-29)30-17-11-27-14-20-35-31(26-21-23-40-24-22-26)18-12-28-13-19-34(30)38(27)39(28)35;1-2-9-36-32(6-1)35-8-3-7-31(39(35)41-36)25-12-10-24(11-13-25)29-18-14-26-17-21-34-30(28-5-4-22-40-23-28)19-15-27-16-20-33(29)37(26)38(27)34/h1-26H;1-26H;1-24H;1-23H
InChIKeyACWTYKQMPMPUNN-UHFFFAOYSA-N
MW2199.64 g/mol
LogP44.47
Rot. Bonds13

About 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole

3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole (PubChem CID 157075177) has the molecular formula C164H99N7O2 and a molecular weight of 2199.64 g/mol. Its IUPAC name is 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole
PubChem CID157075177
Molecular FormulaC164H99N7O2
Molecular Weight2199.64 g/mol
Exact Mass2197.79
IUPAC Name3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc4c(-c5ccncc5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3ccc4ccc5c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc6ccc3c4c65)ccc2c1.c1cncc(-c2ccc3ccc4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ccc2c3c54)c1
InChIInChI=1S/C44H26O.C42H26N4.C39H24N2.C39H23NO/c1-2-7-32-26-33(17-12-27(32)6-1)35-23-19-31-20-24-38-34(22-18-30-21-25-39(35)43(31)42(30)38)28-13-15-29(16-14-28)36-9-5-10-40-37-8-3-4-11-41(37)45-44(36)40;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-3-7-36-32(5-1)33-6-2-4-8-37(33)41(36)29-15-9-25(10-16-29)30-17-11-27-14-20-35-31(26-21-23-40-24-22-26)18-12-28-13-19-34(30)38(27)39(28)35;1-2-9-36-32(6-1)35-8-3-7-31(39(35)41-36)25-12-10-24(11-13-25)29-18-14-26-17-21-34-30(28-5-4-22-40-23-28)19-15-27-16-20-33(29)37(26)38(27)34/h1-26H;1-26H;1-24H;1-23H
InChIKeyACWTYKQMPMPUNN-UHFFFAOYSA-N
XLogP44.47
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms173
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002199.64
LogP ≤ 544.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole with MolForge

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Related Compounds

2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049926
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
3,8-Di(dibenzofuran-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 121460995
3,8-Di(dibenzofuran-4-yl)-5,6-difluoro-1,10-phenanthroline
CID 134167031
3-dibenzofuran-2-yl-8-[8-[4-(8-dibenzofuran-4-yl-5,6-difluoro-10-methyl-9H-1,10-phenanthrolin-3-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-5,6-difluoro-1,10-phenanthroline
CID 134445878
N-[4-(5-dibenzofuran-2-ylbenzo[b]carbazol-3-yl)phenyl]-6-fluoro-N-(4-phenylphenyl)pyridin-3-amine
CID 138607861
2-[(Z)-2-fluoroethenyl]-1-phenyl-5-[8-[8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]dibenzofuran-2-yl]indol-3-amine
CID 144491267
5-Dibenzofuran-2-yl-8-[8-(2,4-difluoro-6-pyridin-2-ylphenyl)pyrido[3,2-b]indol-5-yl]pyrido[3,2-b]indole
CID 144612634
CID 154600612
CID 154600612
CID 158406538
CID 158406538

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole?
The IUPAC name of 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole (CID 157075177) is 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole.
What is the SMILES notation for 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole?
The canonical SMILES for 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole is c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6ccc7ccc8ccc(-c9ccccc9)nc8c7n6)c5)nc4c3n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc3ccc4c(-c5ccncc5)ccc5ccc2c3c54)cc1.c1ccc2cc(-c3ccc4ccc5c(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)ccc6ccc3c4c65)ccc2c1.c1cncc(-c2ccc3ccc4c(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)ccc5ccc2c3c54)c1.
What is the InChIKey of 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole?
The InChIKey is ACWTYKQMPMPUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26O.C42H26N4.C39H24N2.C39H23NO/c1-2-7-32-26-33(17-12-27(32)6-1)35-23-19-31-20-24-38-34(22-18-30-21-25-39(35)43(31)42(30)38)28-13-15-29(16-14-28)36-9-5-10-40-37-8-3-4-11-41(37)45-44(36)40;1-3-8-27(9-4-1)35-22-18-29-14-16-31-20-24-37(45-41(31)39(29)43-35)33-12-7-13-34(26-33)38-25-21-32-17-15-30-19-23-36(28-10-5-2-6-11-28)44-40(30)42(32)46-38;1-3-7-36-32(5-1)33-6-2-4-8-37(33)41(36)29-15-9-25(10-16-29)30-17-11-27-14-20-35-31(26-21-23-40-24-22-26)18-12-28-13-19-34(30)38(27)39(28)35;1-2-9-36-32(6-1)35-8-3-7-31(39(35)41-36)25-12-10-24(11-13-25)29-18-14-26-17-21-34-30(28-5-4-22-40-23-28)19-15-27-16-20-33(29)37(26)38(27)34/h1-26H;1-26H;1-24H;1-23H.
What are the key properties of 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole?
3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole has a molecular weight of 2199.64 g/mol, XLogP of 44.47, 13 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-dibenzofuran-4-ylphenyl)pyren-1-yl]pyridine;4-[4-(6-naphthalen-2-ylpyren-1-yl)phenyl]dibenzofuran;2-phenyl-9-[3-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline;9-[4-(6-pyridin-4-ylpyren-1-yl)phenyl]carbazole is sourced from PubChem (CID 157075177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).