4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine

C181H112N10S — CID 158651732

IUPAC4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5c(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)cccc5c5c4ccc4ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5c5c4ccc4ccccc45)cc3)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cccc5c5c4ccc4ccccc45)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C63H40N4.C63H39N3.C55H33N3S/c1-4-18-44(19-5-1)60-57(61(45-20-6-2-7-21-45)66-63(65-60)47-22-8-3-9-23-47)43-31-33-46(34-32-43)59-54-40-37-41-17-10-11-24-49(41)58(54)53-28-16-27-50(62(53)64-59)42-35-38-48(39-36-42)67-55-29-14-12-25-51(55)52-26-13-15-30-56(52)67;1-4-18-42(19-5-1)60-57(61(43-20-6-2-7-21-43)66-63(65-60)45-22-8-3-9-23-45)41-31-33-44(34-32-41)59-55-38-35-40-17-10-11-24-47(40)58(55)54-30-16-29-48(62(54)64-59)46-36-37-53-51-27-13-12-25-49(51)50-26-14-15-28-52(50)56(53)39-46;1-2-13-37(14-3-1)51-45-17-6-8-22-48(45)56-55(58-51)39-30-28-38(29-31-39)52-47-33-32-34-12-4-5-15-40(34)50(47)46-21-10-18-41(53(46)57-52)35-24-26-36(27-25-35)42-19-11-20-44-43-16-7-9-23-49(43)59-54(42)44/h1-40H;1-39H;1-33H
InChIKeyIBQGPDYEVZOWKE-UHFFFAOYSA-N
MW2459.02 g/mol
LogP48.41
Rot. Bonds18

About 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine

4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine (PubChem CID 158651732) has the molecular formula C181H112N10S and a molecular weight of 2459.02 g/mol. Its IUPAC name is 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine.

Molecular Properties

Compound Name4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine
PubChem CID158651732
Molecular FormulaC181H112N10S
Molecular Weight2459.02 g/mol
Exact Mass2456.88
IUPAC Name4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine
SMILESc1ccc(-c2nc(-c3ccc(-c4nc5c(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)cccc5c5c4ccc4ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5c5c4ccc4ccccc45)cc3)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cccc5c5c4ccc4ccccc45)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C63H40N4.C63H39N3.C55H33N3S/c1-4-18-44(19-5-1)60-57(61(45-20-6-2-7-21-45)66-63(65-60)47-22-8-3-9-23-47)43-31-33-46(34-32-43)59-54-40-37-41-17-10-11-24-49(41)58(54)53-28-16-27-50(62(53)64-59)42-35-38-48(39-36-42)67-55-29-14-12-25-51(55)52-26-13-15-30-56(52)67;1-4-18-42(19-5-1)60-57(61(43-20-6-2-7-21-43)66-63(65-60)45-22-8-3-9-23-45)41-31-33-44(34-32-41)59-55-38-35-40-17-10-11-24-47(40)58(55)54-30-16-29-48(62(54)64-59)46-36-37-53-51-27-13-12-25-49(51)50-26-14-15-28-52(50)56(53)39-46;1-2-13-37(14-3-1)51-45-17-6-8-22-48(45)56-55(58-51)39-30-28-38(29-31-39)52-47-33-32-34-12-4-5-15-40(34)50(47)46-21-10-18-41(53(46)57-52)35-24-26-36(27-25-35)42-19-11-20-44-43-16-7-9-23-49(43)59-54(42)44/h1-40H;1-39H;1-33H
InChIKeyIBQGPDYEVZOWKE-UHFFFAOYSA-N
XLogP48.41
TPSA120.94 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms192
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002459.02
LogP ≤ 548.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine 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

6-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-4-phenylbenzo[k]phenanthridine;6-(4-carbazol-9-ylphenyl)-4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine;4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 157355348
6-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4-(4-carbazol-9-ylphenyl)benzo[k]phenanthridine
CID 155249349
4-(4-carbazol-9-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 155249389
3-[4-(4-dibenzothiophen-4-ylphenyl)-2-phenylquinazolin-6-yl]-9-phenylcarbazole
CID 145159089
4-(3-dibenzothiophen-4-ylphenyl)-6-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[k]phenanthridine
CID 155249580
4-(3-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-carbazol-9-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzofuran-1-ylphenyl)-6-[4-(2-phenylquinazolin-4-yl)phenyl]benzo[k]phenanthridine
CID 158279282
6-dibenzothiophen-4-yl-2-(2,4-diphenylquinazolin-6-yl)-9-phenylcarbazole
CID 134219481
2-(3-carbazol-9-yl-5-dibenzothiophen-4-ylphenyl)-4-phenylbenzo[h]quinazoline
CID 122497144
3-dibenzothiophen-4-yl-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole;3-dibenzothiophen-4-yl-9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazole
CID 160959222
3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(4-phenylquinazolin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 159551431
4-(4-carbazol-9-ylphenyl)-6-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 155249601
9-(4-dibenzothiophen-4-ylphenyl)-14-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 129122464

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine?
The IUPAC name of 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine (CID 158651732) is 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine.
What is the SMILES notation for 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine?
The canonical SMILES for 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine is c1ccc(-c2nc(-c3ccc(-c4nc5c(-c6ccc(-c7cccc8c7sc7ccccc78)cc6)cccc5c5c4ccc4ccccc45)cc3)nc3ccccc23)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc5c(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)cccc5c5c4ccc4ccccc45)cc3)c(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(-c4nc5c(-c6ccc7c8ccccc8c8ccccc8c7c6)cccc5c5c4ccc4ccccc45)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine?
The InChIKey is IBQGPDYEVZOWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N4.C63H39N3.C55H33N3S/c1-4-18-44(19-5-1)60-57(61(45-20-6-2-7-21-45)66-63(65-60)47-22-8-3-9-23-47)43-31-33-46(34-32-43)59-54-40-37-41-17-10-11-24-49(41)58(54)53-28-16-27-50(62(53)64-59)42-35-38-48(39-36-42)67-55-29-14-12-25-51(55)52-26-13-15-30-56(52)67;1-4-18-42(19-5-1)60-57(61(43-20-6-2-7-21-43)66-63(65-60)45-22-8-3-9-23-45)41-31-33-44(34-32-41)59-55-38-35-40-17-10-11-24-47(40)58(55)54-30-16-29-48(62(54)64-59)46-36-37-53-51-27-13-12-25-49(51)50-26-14-15-28-52(50)56(53)39-46;1-2-13-37(14-3-1)51-45-17-6-8-22-48(45)56-55(58-51)39-30-28-38(29-31-39)52-47-33-32-34-12-4-5-15-40(34)50(47)46-21-10-18-41(53(46)57-52)35-24-26-36(27-25-35)42-19-11-20-44-43-16-7-9-23-49(43)59-54(42)44/h1-40H;1-39H;1-33H.
What are the key properties of 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine?
4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine has a molecular weight of 2459.02 g/mol, XLogP of 48.41, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbazol-9-ylphenyl)-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine;4-(4-dibenzothiophen-4-ylphenyl)-6-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[k]phenanthridine;4-triphenylen-2-yl-6-[4-(2,4,6-triphenylpyrimidin-5-yl)phenyl]benzo[k]phenanthridine is sourced from PubChem (CID 158651732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).