11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole

C46H28N4 — CID 138533157

IUPAC11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C46H28N4/c1-2-12-30(13-3-1)49-41-20-10-8-16-34(41)38-27-44-39(26-43(38)49)35-17-9-11-21-42(35)50(44)31-24-22-29(23-25-31)40-28-47-45-36-18-6-4-14-32(36)33-15-5-7-19-37(33)46(45)48-40/h1-28H
InChIKeySEORADVWUWKKHT-UHFFFAOYSA-N
MW636.76 g/mol
LogP11.80
Rot. Bonds3

About 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole

11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole (PubChem CID 138533157) has the molecular formula C46H28N4 and a molecular weight of 636.76 g/mol. Its IUPAC name is 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
PubChem CID138533157
Molecular FormulaC46H28N4
Molecular Weight636.76 g/mol
Exact Mass636.23
IUPAC Name11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc1
InChIInChI=1S/C46H28N4/c1-2-12-30(13-3-1)49-41-20-10-8-16-34(41)38-27-44-39(26-43(38)49)35-17-9-11-21-42(35)50(44)31-24-22-29(23-25-31)40-28-47-45-36-18-6-4-14-32(36)33-15-5-7-19-37(33)46(45)48-40/h1-28H
InChIKeySEORADVWUWKKHT-UHFFFAOYSA-N
XLogP11.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.76
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole 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-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891
3-[4-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063744
3-[3-[3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064112
3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064106
3-[4-[3,5-di(carbazol-9-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 89475592
3-[3-[3-(6,9-diphenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine;3-[3-[3-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 159743205
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-[3-[4-[3-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064044
3-[3-[6-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063863
3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 160635816

Frequently Asked Questions

What is the IUPAC name of 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole?
The IUPAC name of 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole (CID 138533157) is 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole?
The canonical SMILES for 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole is c1ccc(-n2c3ccccc3c3cc4c(cc32)c2ccccc2n4-c2ccc(-c3cnc4c5ccccc5c5ccccc5c4n3)cc2)cc1.
What is the InChIKey of 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole?
The InChIKey is SEORADVWUWKKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4/c1-2-12-30(13-3-1)49-41-20-10-8-16-34(41)38-27-44-39(26-43(38)49)35-17-9-11-21-42(35)50(44)31-24-22-29(23-25-31)40-28-47-45-36-18-6-4-14-32(36)33-15-5-7-19-37(33)46(45)48-40/h1-28H.
What are the key properties of 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole?
11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole has a molecular weight of 636.76 g/mol, XLogP of 11.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole is sourced from PubChem (CID 138533157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).