10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline

C34H20N4 — CID 121368463

IUPAC10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3ccc(-c4cnc5c(c4)c4ccccc4c4cccnc45)cc3)nc12
InChIInChI=1S/C34H20N4/c1-2-7-27-26(6-1)28-8-4-18-36-33(28)34-29(27)19-25(20-37-34)21-9-11-22(12-10-21)30-16-15-24-14-13-23-5-3-17-35-31(23)32(24)38-30/h1-20H
InChIKeyRASGMBNNGASMFU-UHFFFAOYSA-N
MW484.56 g/mol
LogP8.37
Rot. Bonds2

About 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline

10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline (PubChem CID 121368463) has the molecular formula C34H20N4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline.

Molecular Properties

Compound Name10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
PubChem CID121368463
Molecular FormulaC34H20N4
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Name10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline
SMILESc1cnc2c(c1)ccc1ccc(-c3ccc(-c4cnc5c(c4)c4ccccc4c4cccnc45)cc3)nc12
InChIInChI=1S/C34H20N4/c1-2-7-27-26(6-1)28-8-4-18-36-33(28)34-29(27)19-25(20-37-34)21-9-11-22(12-10-21)30-16-15-24-14-13-23-5-3-17-35-31(23)32(24)38-30/h1-20H
InChIKeyRASGMBNNGASMFU-UHFFFAOYSA-N
XLogP8.37
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-phenanthren-9-ylnaphthalen-2-yl)phenyl]-1,10-phenanthroline
CID 121460952
2-(5-triphenylen-2-ylpyrimidin-2-yl)-1,10-phenanthroline
CID 129172574
2-[4-[7-(2-triphenylen-2-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 164780738
3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
2-[2,6-bis(4-phenylphenyl)-4-pyridinyl]-1,10-phenanthroline
CID 146474012
2-[4-[8-[4-(1,10-phenanthrolin-2-yl)phenyl]dibenzothiophen-2-yl]phenyl]-1,10-phenanthroline
CID 90050142
2-[4-(19-hexacyclo[12.10.2.02,7.08,13.018,26.021,25]hexacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22-tridecaenyl)phenyl]-1,10-phenanthroline
CID 167410506
4-N-[4-(1,10-phenanthrolin-2-yl)phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-[3-[6-[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1,10-phenanthrolin-3-yl]phenyl]anilino)phenyl]benzene-1,4-diamine
CID 163969080
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929
3-[6-[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]-3-pyridinyl]-1,10-phenanthroline
CID 167411895
2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-1,10-phenanthroline
CID 174201455
2-[6-(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)-3-pyridinyl]-1,10-phenanthroline
CID 167410703

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline?
The IUPAC name of 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline (CID 121368463) is 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline.
What is the SMILES notation for 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline?
The canonical SMILES for 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline is c1cnc2c(c1)ccc1ccc(-c3ccc(-c4cnc5c(c4)c4ccccc4c4cccnc45)cc3)nc12.
What is the InChIKey of 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline?
The InChIKey is RASGMBNNGASMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N4/c1-2-7-27-26(6-1)28-8-4-18-36-33(28)34-29(27)19-25(20-37-34)21-9-11-22(12-10-21)30-16-15-24-14-13-23-5-3-17-35-31(23)32(24)38-30/h1-20H.
What are the key properties of 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline?
10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline has a molecular weight of 484.56 g/mol, XLogP of 8.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,10-phenanthrolin-2-yl)phenyl]benzo[f][1,10]phenanthroline is sourced from PubChem (CID 121368463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).