7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one

C60H35Br2N7O2 — CID 153434607

IUPAC7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2c(Br)c(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5nc6ccccc6n5)cc4)cc(-c4ccccc4-c4ccn5c(=O)c6ccccc6nc5c4Br)c3)ccn12
InChIInChI=1S/C60H35Br2N7O2/c61-55-47(29-31-67-57(55)63-51-21-9-7-19-49(51)59(67)70)45-17-5-3-15-43(45)38-33-37(42-14-2-1-13-41(42)36-25-27-40(28-26-36)69-65-53-23-11-12-24-54(53)66-69)34-39(35-38)44-16-4-6-18-46(44)48-30-32-68-58(56(48)62)64-52-22-10-8-20-50(52)60(68)71/h1-35H
InChIKeyCVKVQCIBHNWXIY-UHFFFAOYSA-N
MW1045.80 g/mol
LogP14.27
Rot. Bonds7

About 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one

7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one (PubChem CID 153434607) has the molecular formula C60H35Br2N7O2 and a molecular weight of 1045.80 g/mol. Its IUPAC name is 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one
PubChem CID153434607
Molecular FormulaC60H35Br2N7O2
Molecular Weight1045.80 g/mol
Exact Mass1043.12
IUPAC Name7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one
SMILESO=c1c2ccccc2nc2c(Br)c(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5nc6ccccc6n5)cc4)cc(-c4ccccc4-c4ccn5c(=O)c6ccccc6nc5c4Br)c3)ccn12
InChIInChI=1S/C60H35Br2N7O2/c61-55-47(29-31-67-57(55)63-51-21-9-7-19-49(51)59(67)70)45-17-5-3-15-43(45)38-33-37(42-14-2-1-13-41(42)36-25-27-40(28-26-36)69-65-53-23-11-12-24-54(53)66-69)34-39(35-38)44-16-4-6-18-46(44)48-30-32-68-58(56(48)62)64-52-22-10-8-20-50(52)60(68)71/h1-35H
InChIKeyCVKVQCIBHNWXIY-UHFFFAOYSA-N
XLogP14.27
TPSA99.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.80
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one (CID 153434607) is 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one is O=c1c2ccccc2nc2c(Br)c(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5nc6ccccc6n5)cc4)cc(-c4ccccc4-c4ccn5c(=O)c6ccccc6nc5c4Br)c3)ccn12.
What is the InChIKey of 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one?
The InChIKey is CVKVQCIBHNWXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35Br2N7O2/c61-55-47(29-31-67-57(55)63-51-21-9-7-19-49(51)59(67)70)45-17-5-3-15-43(45)38-33-37(42-14-2-1-13-41(42)36-25-27-40(28-26-36)69-65-53-23-11-12-24-54(53)66-69)34-39(35-38)44-16-4-6-18-46(44)48-30-32-68-58(56(48)62)64-52-22-10-8-20-50(52)60(68)71/h1-35H.
What are the key properties of 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one?
7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one has a molecular weight of 1045.80 g/mol, XLogP of 14.27, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-[2-[4-(benzotriazol-2-yl)phenyl]phenyl]-5-[2-(6-bromo-11-oxopyrido[2,1-b]quinazolin-7-yl)phenyl]phenyl]phenyl]-6-bromopyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 153434607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).