7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol

C63H40N4O2 — CID 137052788

IUPAC7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol
SMILESOc1c(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cccnc6c5O)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)ccc2cccnc12
InChIInChI=1S/C63H40N4O2/c68-61-49(33-30-44-10-8-36-64-59(44)61)40-20-24-42(25-21-40)57-51-14-4-5-15-52(51)58(43-26-22-41(23-27-43)50-34-31-45-11-9-37-65-60(45)62(50)69)54-38-47(32-35-53(54)57)39-18-28-46(29-19-39)63-66-55-16-6-7-17-56(55)67(63)48-12-2-1-3-13-48/h1-38,68-69H
InChIKeyNTTZEYAQWKAQIQ-UHFFFAOYSA-N
MW885.04 g/mol
LogP15.84
Rot. Bonds7

About 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol

7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol (PubChem CID 137052788) has the molecular formula C63H40N4O2 and a molecular weight of 885.04 g/mol. Its IUPAC name is 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol
PubChem CID137052788
Molecular FormulaC63H40N4O2
Molecular Weight885.04 g/mol
Exact Mass884.32
IUPAC Name7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol
SMILESOc1c(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cccnc6c5O)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)ccc2cccnc12
InChIInChI=1S/C63H40N4O2/c68-61-49(33-30-44-10-8-36-64-59(44)61)40-20-24-42(25-21-40)57-51-14-4-5-15-52(51)58(43-26-22-41(23-27-43)50-34-31-45-11-9-37-65-60(45)62(50)69)54-38-47(32-35-53(54)57)39-18-28-46(29-19-39)63-66-55-16-6-7-17-56(55)67(63)48-12-2-1-3-13-48/h1-38,68-69H
InChIKeyNTTZEYAQWKAQIQ-UHFFFAOYSA-N
XLogP15.84
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.04
LogP ≤ 515.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol?
The IUPAC name of 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol (CID 137052788) is 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol.
What is the SMILES notation for 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol?
The canonical SMILES for 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol is Oc1c(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6cccnc6c5O)cc4)c4cc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)ccc34)cc2)ccc2cccnc12.
What is the InChIKey of 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol?
The InChIKey is NTTZEYAQWKAQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4O2/c68-61-49(33-30-44-10-8-36-64-59(44)61)40-20-24-42(25-21-40)57-51-14-4-5-15-52(51)58(43-26-22-41(23-27-43)50-34-31-45-11-9-37-65-60(45)62(50)69)54-38-47(32-35-53(54)57)39-18-28-46(29-19-39)63-66-55-16-6-7-17-56(55)67(63)48-12-2-1-3-13-48/h1-38,68-69H.
What are the key properties of 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol?
7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol has a molecular weight of 885.04 g/mol, XLogP of 15.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[10-[4-(8-hydroxyquinolin-7-yl)phenyl]-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]anthracen-9-yl]phenyl]quinolin-8-ol is sourced from PubChem (CID 137052788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).