2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline

C133H84N8 — CID 161107449

IUPAC2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cc(-c7ccccc7)c7c(ccc8ccccc87)n6)c5)nc4c3n2)cc1
InChIInChI=1S/C53H34N2.C43H27N3.C37H23N3/c1-3-13-35(14-4-1)47-34-50(54-49-31-27-36-15-7-8-18-43(36)53(47)49)38-25-23-37(24-26-38)41-29-30-42(45-20-10-9-19-44(41)45)39-28-32-52-48(33-39)46-21-11-12-22-51(46)55(52)40-16-5-2-6-17-40;1-3-10-28(11-4-1)36-27-40(44-39-25-20-29-12-7-8-17-35(29)41(36)39)34-16-9-15-33(26-34)38-24-22-32-19-18-31-21-23-37(30-13-5-2-6-14-30)45-42(31)43(32)46-38;1-2-8-24(9-3-1)31-23-34(39-33-20-17-25-10-4-5-14-30(25)35(31)33)29-12-6-11-28(22-29)32-19-18-27-16-15-26-13-7-21-38-36(26)37(27)40-32/h1-34H;1-27H;1-23H
InChIKeyUJGAPQNTNOZIGR-UHFFFAOYSA-N
MW1794.19 g/mol
LogP34.94
Rot. Bonds12

About 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline

2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline (PubChem CID 161107449) has the molecular formula C133H84N8 and a molecular weight of 1794.19 g/mol. Its IUPAC name is 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline.

Molecular Properties

Compound Name2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
PubChem CID161107449
Molecular FormulaC133H84N8
Molecular Weight1794.19 g/mol
Exact Mass1792.68
IUPAC Name2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cc(-c7ccccc7)c7c(ccc8ccccc87)n6)c5)nc4c3n2)cc1
InChIInChI=1S/C53H34N2.C43H27N3.C37H23N3/c1-3-13-35(14-4-1)47-34-50(54-49-31-27-36-15-7-8-18-43(36)53(47)49)38-25-23-37(24-26-38)41-29-30-42(45-20-10-9-19-44(41)45)39-28-32-52-48(33-39)46-21-11-12-22-51(46)55(52)40-16-5-2-6-17-40;1-3-10-28(11-4-1)36-27-40(44-39-25-20-29-12-7-8-17-35(29)41(36)39)34-16-9-15-33(26-34)38-24-22-32-19-18-31-21-23-37(30-13-5-2-6-14-30)45-42(31)43(32)46-38;1-2-8-24(9-3-1)31-23-34(39-33-20-17-25-10-4-5-14-30(25)35(31)33)29-12-6-11-28(22-29)32-19-18-27-16-15-26-13-7-21-38-36(26)37(27)40-32/h1-34H;1-27H;1-23H
InChIKeyUJGAPQNTNOZIGR-UHFFFAOYSA-N
XLogP34.94
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms141
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001794.19
LogP ≤ 534.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline with MolForge

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Related Compounds

3-[4-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline;3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-1-phenylbenzo[f]quinoline;2-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 159402578
3-phenyl-1-[3-(9-phenylcarbazol-3-yl)phenyl]benzo[f]quinoline
CID 138643715
1-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline;2-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;5-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline;2-phenyl-9-[4-[4-(3-phenylbenzo[f]quinolin-1-yl)phenyl]phenyl]-1,10-phenanthroline
CID 158908007
2-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline
CID 138643771
3-(4-carbazol-9-ylphenyl)-1-phenylbenzo[f]quinoline
CID 138643776
3-[3-(3-carbazol-9-ylphenyl)phenyl]-1-phenylbenzo[f]quinoline
CID 138643729
2-[3-(1,3-diphenylbenzo[f]quinolin-5-yl)phenyl]-1,10-phenanthroline
CID 166568774
14-[4-[3-(1,10-phenanthrolin-2-yl)phenyl]phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122242
1-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-3-phenylbenzo[f]quinoline
CID 138643718
5-[4-[4-(1-phenylbenzo[f]quinolin-3-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138644043
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
2,9-diphenyl-5-[4-[3-(3-phenylbenzo[f]quinolin-1-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 138643643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline?
The IUPAC name of 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline (CID 161107449) is 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline.
What is the SMILES notation for 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline?
The canonical SMILES for 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5ccccc45)cc3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2cc(-c3cccc(-c4ccc5ccc6cccnc6c5n4)c3)nc3ccc4ccccc4c23)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cccc(-c6cc(-c7ccccc7)c7c(ccc8ccccc87)n6)c5)nc4c3n2)cc1.
What is the InChIKey of 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline?
The InChIKey is UJGAPQNTNOZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34N2.C43H27N3.C37H23N3/c1-3-13-35(14-4-1)47-34-50(54-49-31-27-36-15-7-8-18-43(36)53(47)49)38-25-23-37(24-26-38)41-29-30-42(45-20-10-9-19-44(41)45)39-28-32-52-48(33-39)46-21-11-12-22-51(46)55(52)40-16-5-2-6-17-40;1-3-10-28(11-4-1)36-27-40(44-39-25-20-29-12-7-8-17-35(29)41(36)39)34-16-9-15-33(26-34)38-24-22-32-19-18-31-21-23-37(30-13-5-2-6-14-30)45-42(31)43(32)46-38;1-2-8-24(9-3-1)31-23-34(39-33-20-17-25-10-4-5-14-30(25)35(31)33)29-12-6-11-28(22-29)32-19-18-27-16-15-26-13-7-21-38-36(26)37(27)40-32/h1-34H;1-27H;1-23H.
What are the key properties of 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline?
2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline has a molecular weight of 1794.19 g/mol, XLogP of 34.94, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;2-phenyl-9-[3-(1-phenylbenzo[f]quinolin-3-yl)phenyl]-1,10-phenanthroline;1-phenyl-3-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]benzo[f]quinoline is sourced from PubChem (CID 161107449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).