3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine

C104H65ClN8 — CID 159921018

IUPAC3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESClc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)ccc32)cc1
InChIInChI=1S/C52H32N4.C30H20N2.C22H13ClN2/c1-2-12-36(13-3-1)55-47-20-10-8-16-40(47)44-30-34(24-28-49(44)55)35-25-29-50-45(31-35)41-17-9-11-21-48(41)56(50)37-26-22-33(23-27-37)46-32-53-51-42-18-6-4-14-38(42)39-15-5-7-19-43(39)52(51)54-46;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;23-15-11-9-14(10-12-15)20-13-24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)25-20/h1-32H;1-19,31H;1-13H
InChIKeyNYJWBJHENNCVRJ-UHFFFAOYSA-N
MW1462.17 g/mol
LogP27.81
Rot. Bonds7

About 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine

3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 159921018) has the molecular formula C104H65ClN8 and a molecular weight of 1462.17 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
PubChem CID159921018
Molecular FormulaC104H65ClN8
Molecular Weight1462.17 g/mol
Exact Mass1460.50
IUPAC Name3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
SMILESClc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)ccc32)cc1
InChIInChI=1S/C52H32N4.C30H20N2.C22H13ClN2/c1-2-12-36(13-3-1)55-47-20-10-8-16-40(47)44-30-34(24-28-49(44)55)35-25-29-50-45(31-35)41-17-9-11-21-48(41)56(50)37-26-22-33(23-27-37)46-32-53-51-42-18-6-4-14-38(42)39-15-5-7-19-43(39)52(51)54-46;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;23-15-11-9-14(10-12-15)20-13-24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)25-20/h1-32H;1-19,31H;1-13H
InChIKeyNYJWBJHENNCVRJ-UHFFFAOYSA-N
XLogP27.81
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms113
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001462.17
LogP ≤ 527.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]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-(9H-carbazol-3-yl)-9-phenylcarbazole;15-(4-chlorophenyl)-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene;15-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-11-oxa-13,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 159120105
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
11-(4-phenanthro[9,10-b]pyrazin-3-ylphenyl)-5-phenylindolo[3,2-b]carbazole
CID 138533157
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-[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-[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
3-[4-[4-[3-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063744
3-[3-[6-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063863
6,11-diphenyl-3-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 118682663
3-[3-[5-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-yl]phenyl]phenanthro[9,10-b]pyrazine
CID 129063733

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?
The IUPAC name of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine (CID 159921018) is 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?
The canonical SMILES for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine is Clc1ccc(-c2cnc3c4ccccc4c4ccccc4c3n2)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccccc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cnc6c7ccccc7c7ccccc7c6n5)cc4)ccc32)cc1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?
The InChIKey is NYJWBJHENNCVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N4.C30H20N2.C22H13ClN2/c1-2-12-36(13-3-1)55-47-20-10-8-16-40(47)44-30-34(24-28-49(44)55)35-25-29-50-45(31-35)41-17-9-11-21-48(41)56(50)37-26-22-33(23-27-37)46-32-53-51-42-18-6-4-14-38(42)39-15-5-7-19-43(39)52(51)54-46;1-2-8-22(9-3-1)32-29-13-7-5-11-24(29)26-19-21(15-17-30(26)32)20-14-16-28-25(18-20)23-10-4-6-12-27(23)31-28;23-15-11-9-14(10-12-15)20-13-24-21-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22(21)25-20/h1-32H;1-19,31H;1-13H.
What are the key properties of 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine?
3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 1462.17 g/mol, XLogP of 27.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-9-phenylcarbazole;3-(4-chlorophenyl)phenanthro[9,10-b]pyrazine;3-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 159921018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).