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

C138H87N9 — CID 160635816

IUPAC3-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6cnc7c8ccccc8c8ccccc8c7n6)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)ccc32)cc1
InChIInChI=1S/3C46H29N3/c1-2-16-35(17-3-1)49-43-23-9-8-20-38(43)41-28-33(24-25-44(41)49)31-13-10-12-30(26-31)32-14-11-15-34(27-32)42-29-47-45-39-21-6-4-18-36(39)37-19-5-7-22-40(37)46(45)48-42;1-2-10-35(11-3-1)49-43-17-9-8-14-38(43)41-28-34(26-27-44(41)49)32-20-18-30(19-21-32)31-22-24-33(25-23-31)42-29-47-45-39-15-6-4-12-36(39)37-13-5-7-16-40(37)46(45)48-42;1-2-12-33(13-3-1)49-43-21-11-10-18-38(43)41-28-32(26-27-44(41)49)35-15-5-4-14-34(35)30-22-24-31(25-23-30)42-29-47-45-39-19-8-6-16-36(39)37-17-7-9-20-40(37)46(45)48-42/h3*1-29H
InChIKeyRINGDRKTKHPGND-UHFFFAOYSA-N
MW1871.28 g/mol
LogP36.10
Rot. Bonds12

About 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

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 (PubChem CID 160635816) has the molecular formula C138H87N9 and a molecular weight of 1871.28 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID160635816
Molecular FormulaC138H87N9
Molecular Weight1871.28 g/mol
Exact Mass1869.71
IUPAC Name3-[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
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6cnc7c8ccccc8c8ccccc8c7n6)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)ccc32)cc1
InChIInChI=1S/3C46H29N3/c1-2-16-35(17-3-1)49-43-23-9-8-20-38(43)41-28-33(24-25-44(41)49)31-13-10-12-30(26-31)32-14-11-15-34(27-32)42-29-47-45-39-21-6-4-18-36(39)37-19-5-7-22-40(37)46(45)48-42;1-2-10-35(11-3-1)49-43-17-9-8-14-38(43)41-28-34(26-27-44(41)49)32-20-18-30(19-21-32)31-22-24-33(25-23-31)42-29-47-45-39-15-6-4-12-36(39)37-13-5-7-16-40(37)46(45)48-42;1-2-12-33(13-3-1)49-43-21-11-10-18-38(43)41-28-32(26-27-44(41)49)35-15-5-4-14-34(35)30-22-24-31(25-23-30)42-29-47-45-39-19-8-6-16-36(39)37-17-7-9-20-40(37)46(45)48-42/h3*1-29H
InChIKeyRINGDRKTKHPGND-UHFFFAOYSA-N
XLogP36.10
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms147
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001871.28
LogP ≤ 536.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063733
3-[3-[3-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064112
3-[4-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063891
3-[3-[3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064106
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-(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-[3-[4-[4-(3-naphthalen-1-ylcarbazol-9-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063988
3-[4-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063888
6,11-dinaphthalen-1-yl-3-[3-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063953
3-[3-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064031
3-[3-[4-[4-[4-(9-phenylcarbazol-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129064045
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc(-c6cnc7c8ccccc8c8ccccc8c7n6)cc5)cc4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5cccc(-c6cnc7c8ccccc8c8ccccc8c7n6)c5)c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccccc4-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)ccc32)cc1.
What is the InChIKey of 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?
The InChIKey is RINGDRKTKHPGND-UHFFFAOYSA-N. The full InChI is InChI=1S/3C46H29N3/c1-2-16-35(17-3-1)49-43-23-9-8-20-38(43)41-28-33(24-25-44(41)49)31-13-10-12-30(26-31)32-14-11-15-34(27-32)42-29-47-45-39-21-6-4-18-36(39)37-19-5-7-22-40(37)46(45)48-42;1-2-10-35(11-3-1)49-43-17-9-8-14-38(43)41-28-34(26-27-44(41)49)32-20-18-30(19-21-32)31-22-24-33(25-23-31)42-29-47-45-39-15-6-4-12-36(39)37-13-5-7-16-40(37)46(45)48-42;1-2-12-33(13-3-1)49-43-21-11-10-18-38(43)41-28-32(26-27-44(41)49)35-15-5-4-14-34(35)30-22-24-31(25-23-30)42-29-47-45-39-19-8-6-16-36(39)37-17-7-9-20-40(37)46(45)48-42/h3*1-29H.
What are the key properties of 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?
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 has a molecular weight of 1871.28 g/mol, XLogP of 36.10, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160635816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).