3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

C56H35N3 — CID 129064038

IUPAC3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)cc7)cc6)cc5)cc43)cccc2c1
InChIInChI=1S/C56H35N3/c1-2-12-44-41(10-1)11-9-19-52(44)59-53-18-8-7-15-47(53)48-33-32-43(34-54(48)59)40-26-24-38(25-27-40)36-20-22-37(23-21-36)39-28-30-42(31-29-39)51-35-57-55-49-16-5-3-13-45(49)46-14-4-6-17-50(46)56(55)58-51/h1-35H
InChIKeyRKCSPAVKDLYUAH-UHFFFAOYSA-N
MW749.92 g/mol
LogP14.85
Rot. Bonds5

About 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 129064038) has the molecular formula C56H35N3 and a molecular weight of 749.92 g/mol. Its IUPAC name is 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID129064038
Molecular FormulaC56H35N3
Molecular Weight749.92 g/mol
Exact Mass749.28
IUPAC Name3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
SMILESc1ccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)cc7)cc6)cc5)cc43)cccc2c1
InChIInChI=1S/C56H35N3/c1-2-12-44-41(10-1)11-9-19-52(44)59-53-18-8-7-15-47(53)48-33-32-43(34-54(48)59)40-26-24-38(25-27-40)36-20-22-37(23-21-36)39-28-30-42(31-29-39)51-35-57-55-49-16-5-3-13-45(49)46-14-4-6-17-50(46)56(55)58-51/h1-35H
InChIKeyRKCSPAVKDLYUAH-UHFFFAOYSA-N
XLogP14.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.92
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064095
3-[3-[3-[3-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063802
3-[3-[4-(5-carbazol-9-ylnaphthalen-1-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063643
3-[4-[4-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064060
3-[4-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063744
3-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063610
3-[4-[3-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063751
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
3-[2,6-di(carbazol-9-yl)phenyl]phenanthro[9,10-b]pyrazine
CID 89475591
3-[3-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064045
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891
3-[3-[4-[3-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064044

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 129064038) is 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is c1ccc2c(-n3c4ccccc4c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cnc9c%10ccccc%10c%10ccccc%10c9n8)cc7)cc6)cc5)cc43)cccc2c1.
What is the InChIKey of 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is RKCSPAVKDLYUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3/c1-2-12-44-41(10-1)11-9-19-52(44)59-53-18-8-7-15-47(53)48-33-32-43(34-54(48)59)40-26-24-38(25-27-40)36-20-22-37(23-21-36)39-28-30-42(31-29-39)51-35-57-55-49-16-5-3-13-45(49)46-14-4-6-17-50(46)56(55)58-51/h1-35H.
What are the key properties of 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?
3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 749.92 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129064038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).