4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene

C193H121N3 — CID 158051322

IUPAC4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)c4c(-c5ccc6ccccc6c5)cccc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)c3ccc4ccccc4c3n2)cc1.c1ccc2cc(-c3cccc4c(-c5ccc6ccc7cccc8ccc5c6c78)ccc(-c5ccc6ccccc6c5)c34)ccc2c1
InChIInChI=1S/C50H32.C49H31N.C48H30N2.C46H28/c1-2-11-33(12-3-1)41-31-48-42-18-9-8-15-36(42)25-26-46(48)49(32-41)45-28-27-44(40-24-22-35-14-5-7-17-38(35)30-40)50-43(19-10-20-47(45)50)39-23-21-34-13-4-6-16-37(34)29-39;1-2-16-35(17-3-1)47-31-46(45-28-27-34-15-6-9-22-38(34)49(45)50-47)41-29-30-44(40-24-11-19-33-14-5-8-21-37(33)40)48-42(25-12-26-43(41)48)39-23-10-18-32-13-4-7-20-36(32)39;1-2-16-34(17-3-1)48-49-46-37-22-9-6-15-33(37)27-28-44(46)47(50-48)43-30-29-42(39-24-11-19-32-14-5-8-21-36(32)39)45-40(25-12-26-41(43)45)38-23-10-18-31-13-4-7-20-35(31)38;1-3-9-34-27-36(19-15-29(34)7-1)38-13-6-14-42-41(26-25-39(46(38)42)37-20-16-30-8-2-4-10-35(30)28-37)40-23-21-33-18-17-31-11-5-12-32-22-24-43(40)45(33)44(31)32/h1-32H;1-31H;1-30H;1-28H
InChIKeyFJNFACIWKTYOLJ-UHFFFAOYSA-N
MW2482.11 g/mol
LogP53.59
Rot. Bonds15

About 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene

4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene (PubChem CID 158051322) has the molecular formula C193H121N3 and a molecular weight of 2482.11 g/mol. Its IUPAC name is 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene.

Molecular Properties

Compound Name4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene
PubChem CID158051322
Molecular FormulaC193H121N3
Molecular Weight2482.11 g/mol
Exact Mass2479.96
IUPAC Name4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)c4c(-c5ccc6ccccc6c5)cccc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)c3ccc4ccccc4c3n2)cc1.c1ccc2cc(-c3cccc4c(-c5ccc6ccc7cccc8ccc5c6c78)ccc(-c5ccc6ccccc6c5)c34)ccc2c1
InChIInChI=1S/C50H32.C49H31N.C48H30N2.C46H28/c1-2-11-33(12-3-1)41-31-48-42-18-9-8-15-36(42)25-26-46(48)49(32-41)45-28-27-44(40-24-22-35-14-5-7-17-38(35)30-40)50-43(19-10-20-47(45)50)39-23-21-34-13-4-6-16-37(34)29-39;1-2-16-35(17-3-1)47-31-46(45-28-27-34-15-6-9-22-38(34)49(45)50-47)41-29-30-44(40-24-11-19-33-14-5-8-21-37(33)40)48-42(25-12-26-43(41)48)39-23-10-18-32-13-4-7-20-36(32)39;1-2-16-34(17-3-1)48-49-46-37-22-9-6-15-33(37)27-28-44(46)47(50-48)43-30-29-42(39-24-11-19-32-14-5-8-21-36(32)39)45-40(25-12-26-41(43)45)38-23-10-18-31-13-4-7-20-35(31)38;1-3-9-34-27-36(19-15-29(34)7-1)38-13-6-14-42-41(26-25-39(46(38)42)37-20-16-30-8-2-4-10-35(30)28-37)40-23-21-33-18-17-31-11-5-12-32-22-24-43(40)45(33)44(31)32/h1-32H;1-31H;1-30H;1-28H
InChIKeyFJNFACIWKTYOLJ-UHFFFAOYSA-N
XLogP53.59
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms196
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002482.11
LogP ≤ 553.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene with MolForge

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Related Compounds

4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline
CID 146261931
1-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)-3-phenylphenanthrene;2-(4,7-dinaphthalen-1-ylnaphthalen-1-yl)triphenylene;1,6-dinaphthalen-2-yl-4-phenylnaphthalene;1-(4-naphthalen-1-yl-7-naphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene
CID 159069619
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712
4-[4-[4-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)phenyl]phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 167413057
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
4-[4-[4-(4-fluoranthen-3-ylphenyl)naphthalen-2-yl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 168756534
2,4-bis[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2,4-bis[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6,8-dinaphthalen-1-ylquinazoline;2-[4-(2,6-diphenyl-4-pyridinyl)phenyl]-4-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-6,8-dinaphthalen-1-ylquinazoline
CID 157156719
1-(4,5-diphenylnaphthalen-1-yl)-6-(4-naphthalen-2-ylphenyl)pyrene
CID 123142819
1,6-dinaphthalen-2-yl-3,8-diphenylpyrene;1-naphthalen-1-yl-6-naphthalen-2-yl-8-phenyl-3-(2-phenylphenyl)pyrene;1-naphthalen-1-yl-8-(4-naphthalen-1-ylphenyl)pyrene
CID 158032644
2-[3-[5-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-2-yl]phenyl]-4,6-diphenylpyridine;2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-1-yl-4-[5-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[5-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 158729829
2-[3-[8-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyridine;4-[3-[8-[3-(2,6-diphenyl-4-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyridine;2-[3-[8-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenylpyrimidine;4-[3-[7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]-2,6-diphenylpyrimidine;2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-naphthalen-2-yl-4-[8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 158790011

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene?
The IUPAC name of 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene (CID 158051322) is 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene.
What is the SMILES notation for 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene?
The canonical SMILES for 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene is c1ccc(-c2cc(-c3ccc(-c4ccc5ccccc5c4)c4c(-c5ccc6ccccc6c5)cccc34)c3ccc4ccccc4c3c2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)c3ccc4ccccc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc5ccccc45)c4c(-c5cccc6ccccc56)cccc34)c3ccc4ccccc4c3n2)cc1.c1ccc2cc(-c3cccc4c(-c5ccc6ccc7cccc8ccc5c6c78)ccc(-c5ccc6ccccc6c5)c34)ccc2c1.
What is the InChIKey of 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene?
The InChIKey is FJNFACIWKTYOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32.C49H31N.C48H30N2.C46H28/c1-2-11-33(12-3-1)41-31-48-42-18-9-8-15-36(42)25-26-46(48)49(32-41)45-28-27-44(40-24-22-35-14-5-7-17-38(35)30-40)50-43(19-10-20-47(45)50)39-23-21-34-13-4-6-16-37(34)29-39;1-2-16-35(17-3-1)47-31-46(45-28-27-34-15-6-9-22-38(34)49(45)50-47)41-29-30-44(40-24-11-19-33-14-5-8-21-37(33)40)48-42(25-12-26-43(41)48)39-23-10-18-32-13-4-7-20-36(32)39;1-2-16-34(17-3-1)48-49-46-37-22-9-6-15-33(37)27-28-44(46)47(50-48)43-30-29-42(39-24-11-19-32-14-5-8-21-36(32)39)45-40(25-12-26-41(43)45)38-23-10-18-31-13-4-7-20-35(31)38;1-3-9-34-27-36(19-15-29(34)7-1)38-13-6-14-42-41(26-25-39(46(38)42)37-20-16-30-8-2-4-10-35(30)28-37)40-23-21-33-18-17-31-11-5-12-32-22-24-43(40)45(33)44(31)32/h1-32H;1-31H;1-30H;1-28H.
What are the key properties of 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene?
4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene has a molecular weight of 2482.11 g/mol, XLogP of 53.59, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline;4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinoline;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)-3-phenylphenanthrene;1-(4,5-dinaphthalen-2-ylnaphthalen-1-yl)pyrene is sourced from PubChem (CID 158051322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).