3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline

C63H38N4 — CID 88886656

IUPAC3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline
SMILESc1ccc(-n2c3ccc(-c4cnc5c(ccc6cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)cnc65)c4)cc3c3cnc(-c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C63H38N4/c1-2-16-50(17-3-1)67-58-29-28-43(34-55(58)56-38-64-57(35-59(56)67)44-24-22-39-12-4-6-14-41(39)30-44)48-32-46-26-27-47-33-49(37-66-63(47)62(46)65-36-48)61-53-20-10-8-18-51(53)60(52-19-9-11-21-54(52)61)45-25-23-40-13-5-7-15-42(40)31-45/h1-38H
InChIKeyJNPSGCJLWQRXGR-UHFFFAOYSA-N
MW851.03 g/mol
LogP16.56
Rot. Bonds5

About 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline

3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline (PubChem CID 88886656) has the molecular formula C63H38N4 and a molecular weight of 851.03 g/mol. Its IUPAC name is 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline
PubChem CID88886656
Molecular FormulaC63H38N4
Molecular Weight851.03 g/mol
Exact Mass850.31
IUPAC Name3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline
SMILESc1ccc(-n2c3ccc(-c4cnc5c(ccc6cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)cnc65)c4)cc3c3cnc(-c4ccc5ccccc5c4)cc32)cc1
InChIInChI=1S/C63H38N4/c1-2-16-50(17-3-1)67-58-29-28-43(34-55(58)56-38-64-57(35-59(56)67)44-24-22-39-12-4-6-14-41(39)30-44)48-32-46-26-27-47-33-49(37-66-63(47)62(46)65-36-48)61-53-20-10-8-18-51(53)60(52-19-9-11-21-54(52)61)45-25-23-40-13-5-7-15-42(40)31-45/h1-38H
InChIKeyJNPSGCJLWQRXGR-UHFFFAOYSA-N
XLogP16.56
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.03
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

8-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)pyrimidin-4-yl]-5-phenylpyrido[4,3-b]indole
CID 118968803
5-phenyl-2-[5-[10-(4-phenylphenyl)anthracen-9-yl]-2-pyridinyl]benzo[b]carbazole
CID 134531069
3-[3-[3-[3-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-[4-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[3-(3,6-dinaphthalen-2-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 159869476
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
3,6-bis(6-naphthalen-2-yl-2-pyridinyl)-9-phenylcarbazole
CID 163724043
8-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]-5-(4-phenylphenyl)pyrido[4,3-b]indole
CID 121277490
3-[3-[6-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063863
7,10-dinaphthalen-2-yl-3-[3-[3-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064130
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
3-[3-[4-[3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063944
8-[6-(3-methyl-10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]-5-phenylpyrido[4,3-b]indole
CID 146427804

Frequently Asked Questions

What is the IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline?
The IUPAC name of 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline (CID 88886656) is 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline.
What is the SMILES notation for 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline?
The canonical SMILES for 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline is c1ccc(-n2c3ccc(-c4cnc5c(ccc6cc(-c7c8ccccc8c(-c8ccc9ccccc9c8)c8ccccc78)cnc65)c4)cc3c3cnc(-c4ccc5ccccc5c4)cc32)cc1.
What is the InChIKey of 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline?
The InChIKey is JNPSGCJLWQRXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H38N4/c1-2-16-50(17-3-1)67-58-29-28-43(34-55(58)56-38-64-57(35-59(56)67)44-24-22-39-12-4-6-14-41(39)30-44)48-32-46-26-27-47-33-49(37-66-63(47)62(46)65-36-48)61-53-20-10-8-18-51(53)60(52-19-9-11-21-54(52)61)45-25-23-40-13-5-7-15-42(40)31-45/h1-38H.
What are the key properties of 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline?
3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline has a molecular weight of 851.03 g/mol, XLogP of 16.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-naphthalen-2-ylanthracen-9-yl)-8-(3-naphthalen-2-yl-5-phenylpyrido[4,3-b]indol-8-yl)-1,10-phenanthroline is sourced from PubChem (CID 88886656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).