8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole

C52H37N3 — CID 126605102

IUPAC8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
SMILESC1=CC(c2ccc3c(c2)c2c(n3-c3ccccc3)C=CNC2)NC(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)=C1
InChIInChI=1S/C52H37N3/c1-2-13-40(14-3-1)55-49-28-27-38(32-45(49)46-33-53-30-29-50(46)55)48-20-10-19-47(54-48)35-22-24-36(25-23-35)51-41-15-6-8-17-43(41)52(44-18-9-7-16-42(44)51)39-26-21-34-11-4-5-12-37(34)31-39/h1-32,48,53-54H,33H2
InChIKeyLEMLTZDAOKLPMV-UHFFFAOYSA-N
MW703.89 g/mol
LogP12.74
Rot. Bonds5

About 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole

8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole (PubChem CID 126605102) has the molecular formula C52H37N3 and a molecular weight of 703.89 g/mol. Its IUPAC name is 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole.

Molecular Properties

Compound Name8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
PubChem CID126605102
Molecular FormulaC52H37N3
Molecular Weight703.89 g/mol
Exact Mass703.30
IUPAC Name8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
SMILESC1=CC(c2ccc3c(c2)c2c(n3-c3ccccc3)C=CNC2)NC(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)=C1
InChIInChI=1S/C52H37N3/c1-2-13-40(14-3-1)55-49-28-27-38(32-45(49)46-33-53-30-29-50(46)55)48-20-10-19-47(54-48)35-22-24-36(25-23-35)51-41-15-6-8-17-43(41)52(44-18-9-7-16-42(44)51)39-26-21-34-11-4-5-12-37(34)31-39/h1-32,48,53-54H,33H2
InChIKeyLEMLTZDAOKLPMV-UHFFFAOYSA-N
XLogP12.74
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.89
LogP ≤ 512.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]phenyl]-1,2-dihydropyrido[4,3-b]indole
CID 129299674
8-[3-(9,10-diphenylanthracen-2-yl)phenyl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole
CID 126605131
5-(9,9-dimethylfluoren-2-yl)-8-(9,10-diphenylanthracen-2-yl)-1,2-dihydropyrido[4,3-b]indole
CID 129084148
5-[4-(2-naphthalen-2-yl-6-pyridin-3-yl-4-pyridinyl)phenyl]-1,2-dihydropyrido[4,3-b]indole;hydroiodide
CID 145477210
9-[4-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-dihydropyridin-2-yl]-2-pyridinyl]phenyl]-1,2-dihydropyrido[2,3-b]indole
CID 90392899
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]carbazole;9-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3-(10-phenylanthracen-9-yl)carbazole
CID 160550908
11-[4-[(2R)-6-(2-methylphenyl)-1,2-dihydropyridin-2-yl]phenyl]-5-[4-(6-phenyl-2-pyridinyl)phenyl]indolo[3,2-b]carbazole
CID 163450168
12-[2,6-bis(3-naphthalen-2-ylphenyl)-1,2-dihydropyridin-4-yl]-11-phenylindolo[2,3-a]carbazole
CID 130183998
3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 163844254

Frequently Asked Questions

What is the IUPAC name of 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
The IUPAC name of 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole (CID 126605102) is 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole.
What is the SMILES notation for 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
The canonical SMILES for 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole is C1=CC(c2ccc3c(c2)c2c(n3-c3ccccc3)C=CNC2)NC(c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)cc2)=C1.
What is the InChIKey of 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
The InChIKey is LEMLTZDAOKLPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N3/c1-2-13-40(14-3-1)55-49-28-27-38(32-45(49)46-33-53-30-29-50(46)55)48-20-10-19-47(54-48)35-22-24-36(25-23-35)51-41-15-6-8-17-43(41)52(44-18-9-7-16-42(44)51)39-26-21-34-11-4-5-12-37(34)31-39/h1-32,48,53-54H,33H2.
What are the key properties of 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole?
8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole has a molecular weight of 703.89 g/mol, XLogP of 12.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1,2-dihydropyridin-2-yl]-5-phenyl-1,2-dihydropyrido[4,3-b]indole is sourced from PubChem (CID 126605102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).