5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole

C51H32N6 — CID 134544928

IUPAC5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccnc(-c4ccc5c(c4)c4ccncc4n5-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H32N6/c1-3-12-33(13-4-1)34-14-11-17-37(28-34)56-44-20-9-7-18-38(44)42-31-48-43(30-47(42)56)39-19-8-10-21-45(39)57(48)50-25-27-53-51(54-50)35-22-23-46-41(29-35)40-24-26-52-32-49(40)55(46)36-15-5-2-6-16-36/h1-32H
InChIKeyVIDHDPYEFKZFFJ-UHFFFAOYSA-N
MW728.86 g/mol
LogP12.50
Rot. Bonds5

About 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole

5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole (PubChem CID 134544928) has the molecular formula C51H32N6 and a molecular weight of 728.86 g/mol. Its IUPAC name is 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
PubChem CID134544928
Molecular FormulaC51H32N6
Molecular Weight728.86 g/mol
Exact Mass728.27
IUPAC Name5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccnc(-c4ccc5c(c4)c4ccncc4n5-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C51H32N6/c1-3-12-33(13-4-1)34-14-11-17-37(28-34)56-44-20-9-7-18-38(44)42-31-48-43(30-47(42)56)39-19-8-10-21-45(39)57(48)50-25-27-53-51(54-50)35-22-23-46-41(29-35)40-24-26-52-32-49(40)55(46)36-15-5-2-6-16-36/h1-32H
InChIKeyVIDHDPYEFKZFFJ-UHFFFAOYSA-N
XLogP12.50
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.86
LogP ≤ 512.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(3-phenylphenyl)-6-[9-(3-phenylphenyl)carbazol-3-yl]pyrido[3,4-b]indole
CID 90336623
9-(3-phenylphenyl)-6-[4-[9-(3-phenylphenyl)carbazol-3-yl]phenyl]pyrido[3,4-b]indole
CID 146187368
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
5-phenyl-8-[9-(3-phenylphenyl)pyrido[3,4-b]indol-6-yl]pyrido[4,3-b]indole
CID 90336649
10-[3-(3-carbazol-9-ylphenyl)phenyl]-14-phenyl-7,10,14-triazapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 139575264
9-[3-[4,6-bis[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]pyrido[3,4-b]indole
CID 139554443
6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]-9-phenylpyrido[3,4-b]indole
CID 90336618
3,6-bis(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6-pyridin-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118699027
7-(4-phenylphenyl)-5-(9-phenylpyrido[2,3-b]indol-6-yl)indolo[2,3-b]carbazole;7-phenyl-5-(3-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-(4-pyrido[3,4-b]indol-9-ylphenyl)indolo[2,3-b]carbazole;7-phenyl-5-[3-(3-pyrido[3,4-b]indol-9-ylphenyl)phenyl]indolo[2,3-b]carbazole
CID 159693761
10-phenyl-6-[3-[6-phenyl-4-(22-phenyl-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4,6,8,12,14,16,18,20,23-undecaen-10-yl)-2-pyridinyl]phenyl]-22-(2-phenylpyrimidin-4-yl)-10,22-diazahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1(24),2,4(9),5,7,11,13,15(23),16,18,20-undecaene
CID 163754172
5-[3-(4-phenylphenyl)phenyl]-11-pyridin-3-ylindolo[3,2-b]carbazole
CID 140944253
5-(6-carbazol-9-yl-2-pyridinyl)-2,7,10-triphenylindolo[2,3-b]carbazole
CID 118504605

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole (CID 134544928) is 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole is c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)c3ccccc3n5-c3ccnc(-c4ccc5c(c4)c4ccncc4n5-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole?
The InChIKey is VIDHDPYEFKZFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N6/c1-3-12-33(13-4-1)34-14-11-17-37(28-34)56-44-20-9-7-18-38(44)42-31-48-43(30-47(42)56)39-19-8-10-21-45(39)57(48)50-25-27-53-51(54-50)35-22-23-46-41(29-35)40-24-26-52-32-49(40)55(46)36-15-5-2-6-16-36/h1-32H.
What are the key properties of 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole?
5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole has a molecular weight of 728.86 g/mol, XLogP of 12.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylphenyl)-11-[2-(9-phenylpyrido[3,4-b]indol-6-yl)pyrimidin-4-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 134544928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).