5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

C57H38N6 — CID 156558011

IUPAC5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESC1=Cc2c(c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccc(-c6ccccc6)cc5)n4)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C57H38N6/c1-4-16-37(17-5-1)38-28-31-42(32-29-38)62-50-26-14-11-23-44(50)47-36-54-48(35-53(47)62)45-24-12-15-27-51(45)63(54)57-59-55(39-18-6-2-7-19-39)58-56(60-57)40-30-33-46-43-22-10-13-25-49(43)61(52(46)34-40)41-20-8-3-9-21-41/h1-9,11-21,23-36H,10,22H2
InChIKeyPKRRFAGBVCFBBL-UHFFFAOYSA-N
MW806.97 g/mol
LogP13.97
Rot. Bonds6

About 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole

5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 156558011) has the molecular formula C57H38N6 and a molecular weight of 806.97 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

Compound Name5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
PubChem CID156558011
Molecular FormulaC57H38N6
Molecular Weight806.97 g/mol
Exact Mass806.32
IUPAC Name5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole
SMILESC1=Cc2c(c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccc(-c6ccccc6)cc5)n4)cc3n2-c2ccccc2)CC1
InChIInChI=1S/C57H38N6/c1-4-16-37(17-5-1)38-28-31-42(32-29-38)62-50-26-14-11-23-44(50)47-36-54-48(35-53(47)62)45-24-12-15-27-51(45)63(54)57-59-55(39-18-6-2-7-19-39)58-56(60-57)40-30-33-46-43-22-10-13-25-49(43)61(52(46)34-40)41-20-8-3-9-21-41/h1-9,11-21,23-36H,10,22H2
InChIKeyPKRRFAGBVCFBBL-UHFFFAOYSA-N
XLogP13.97
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.97
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
11-[4-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5-phenylindolo[3,2-b]carbazole
CID 169014141
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
9-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,6-diphenylpyrazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 170262472
11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
12-[4-(3,4-dihydrocarbazol-9-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 162363085
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-triphenylen-2-ylphenyl)indolo[3,2-b]carbazole
CID 170542486
3,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 122431757
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The IUPAC name of 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (CID 156558011) is 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
What is the SMILES notation for 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The canonical SMILES for 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is C1=Cc2c(c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6cc7c(cc65)c5ccccc5n7-c5ccc(-c6ccccc6)cc5)n4)cc3n2-c2ccccc2)CC1.
What is the InChIKey of 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
The InChIKey is PKRRFAGBVCFBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N6/c1-4-16-37(17-5-1)38-28-31-42(32-29-38)62-50-26-14-11-23-44(50)47-36-54-48(35-53(47)62)45-24-12-15-27-51(45)63(54)57-59-55(39-18-6-2-7-19-39)58-56(60-57)40-30-33-46-43-22-10-13-25-49(43)61(52(46)34-40)41-20-8-3-9-21-41/h1-9,11-21,23-36H,10,22H2.
What are the key properties of 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole?
5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole has a molecular weight of 806.97 g/mol, XLogP of 13.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-2-yl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 156558011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).