5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline

C59H37N — CID 58323929

IUPAC5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cc7ccccc7c7ncccc67)cc5)cc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C59H37N/c1-2-11-38(12-3-1)45-28-30-51-55(35-45)58(49-27-23-40-14-5-7-16-44(40)34-49)56-36-46(29-31-52(56)57(51)48-26-22-39-13-4-6-15-43(39)33-48)41-20-24-42(25-21-41)54-37-47-17-8-9-18-50(47)59-53(54)19-10-32-60-59/h1-37H
InChIKeyYFSSVCUUUYPMSM-UHFFFAOYSA-N
MW759.95 g/mol
LogP16.34
Rot. Bonds5

About 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline

5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline (PubChem CID 58323929) has the molecular formula C59H37N and a molecular weight of 759.95 g/mol. Its IUPAC name is 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline.

Molecular Properties

Compound Name5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
PubChem CID58323929
Molecular FormulaC59H37N
Molecular Weight759.95 g/mol
Exact Mass759.29
IUPAC Name5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline
SMILESc1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cc7ccccc7c7ncccc67)cc5)cc4c(-c4ccc5ccccc5c4)c3c2)cc1
InChIInChI=1S/C59H37N/c1-2-11-38(12-3-1)45-28-30-51-55(35-45)58(49-27-23-40-14-5-7-16-44(40)34-49)56-36-46(29-31-52(56)57(51)48-26-22-39-13-4-6-15-43(39)33-48)41-20-24-42(25-21-41)54-37-47-17-8-9-18-50(47)59-53(54)19-10-32-60-59/h1-37H
InChIKeyYFSSVCUUUYPMSM-UHFFFAOYSA-N
XLogP16.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.95
LogP ≤ 516.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-phenylpyridine
CID 90361507
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
10-naphthalen-2-yl-5-(3-phenylphenyl)benzo[g]quinoline
CID 59183088
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
3-[4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-10-phenylphenanthrene
CID 58194539
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
3-[4-(9-naphthalen-2-yl-10-phenylanthracen-2-yl)phenyl]pyridine
CID 90361582
6-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzo[f]quinoline
CID 58323837
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9,10-bis(4-phenanthren-9-ylphenyl)-2-phenylanthracene
CID 58323001

Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline?
The IUPAC name of 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline (CID 58323929) is 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline.
What is the SMILES notation for 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline?
The canonical SMILES for 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline is c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccc(-c5ccc(-c6cc7ccccc7c7ncccc67)cc5)cc4c(-c4ccc5ccccc5c4)c3c2)cc1.
What is the InChIKey of 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline?
The InChIKey is YFSSVCUUUYPMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N/c1-2-11-38(12-3-1)45-28-30-51-55(35-45)58(49-27-23-40-14-5-7-16-44(40)34-49)56-36-46(29-31-52(56)57(51)48-26-22-39-13-4-6-15-43(39)33-48)41-20-24-42(25-21-41)54-37-47-17-8-9-18-50(47)59-53(54)19-10-32-60-59/h1-37H.
What are the key properties of 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline?
5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline has a molecular weight of 759.95 g/mol, XLogP of 16.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,10-dinaphthalen-2-yl-7-phenylanthracen-2-yl)phenyl]benzo[h]quinoline is sourced from PubChem (CID 58323929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).