2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline

C56H34N2 — CID 167410894

IUPAC2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6cccc7c8ccccc8c8ccccc8c8cccc5c8c67)c5ccccc45)cc3)nc3ccccc23)cc1
InChIInChI=1S/C56H34N2/c1-2-14-36(15-3-1)55-50-23-10-11-27-52(50)57-56(58-55)37-30-28-35(29-31-37)39-32-33-46(41-18-5-4-17-40(39)41)51-34-38-16-12-24-47-44-21-8-6-19-42(44)43-20-7-9-22-45(43)48-25-13-26-49(51)54(48)53(38)47/h1-34H/b43-42-,47-44-,48-45-
InChIKeyCJBNJFBETMSDTO-FRNOCNDXSA-N
MW734.90 g/mol
LogP15.22
Rot. Bonds4

About 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline

2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline (PubChem CID 167410894) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline
PubChem CID167410894
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC Name2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6cccc7c8ccccc8c8ccccc8c8cccc5c8c67)c5ccccc45)cc3)nc3ccccc23)cc1
InChIInChI=1S/C56H34N2/c1-2-14-36(15-3-1)55-50-23-10-11-27-52(50)57-56(58-55)37-30-28-35(29-31-37)39-32-33-46(41-18-5-4-17-40(39)41)51-34-38-16-12-24-47-44-21-8-6-19-42(44)43-20-7-9-22-45(43)48-25-13-26-49(51)54(48)53(38)47/h1-34H/b43-42-,47-44-,48-45-
InChIKeyCJBNJFBETMSDTO-FRNOCNDXSA-N
XLogP15.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline with MolForge

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Related Compounds

4-phenyl-2-[4-[6-phenyl-2-(4-phenylnaphthalen-1-yl)pyrimidin-4-yl]phenyl]quinazoline
CID 118641165
5-[4-[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]naphthalen-1-yl]-2,3-diphenylpyrazine
CID 167412038
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
22-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475063
22-[3-[3-(2-phenylquinazolin-4-yl)phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475214
22-[3-[4-[2-(3-phenylphenyl)quinazolin-4-yl]phenyl]phenyl]-21-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475317
4-[4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-1-ylphenyl]phenyl]-2-phenylquinazoline
CID 170025825
6-naphthalen-2-yl-8-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665789
4-phenyl-2-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinazoline
CID 155156227
2-[4-(4-phenylphenyl)phenyl]-4-[3-[3-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]phenyl]phenyl]quinazoline
CID 146825143
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenylbenzo[k]phenanthridine
CID 118332316
21-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-22-azapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
CID 121475328

Frequently Asked Questions

What is the IUPAC name of 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline (CID 167410894) is 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cc6cccc7c8ccccc8c8ccccc8c8cccc5c8c67)c5ccccc45)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline?
The InChIKey is CJBNJFBETMSDTO-FRNOCNDXSA-N. The full InChI is InChI=1S/C56H34N2/c1-2-14-36(15-3-1)55-50-23-10-11-27-52(50)57-56(58-55)37-30-28-35(29-31-37)39-32-33-46(41-18-5-4-17-40(39)41)51-34-38-16-12-24-47-44-21-8-6-19-42(44)43-20-7-9-22-45(43)48-25-13-26-49(51)54(48)53(38)47/h1-34H/b43-42-,47-44-,48-45-.
What are the key properties of 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline?
2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline has a molecular weight of 734.90 g/mol, XLogP of 15.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[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)naphthalen-1-yl]phenyl]-4-phenylquinazoline is sourced from PubChem (CID 167410894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).