2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole

C108H65N9S2 — CID 170265361

IUPAC2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8c(c7)c7ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc%12sc%13ccc(-c%14ccc%15c(c%14)c%14cc%16c(cc%14n%15-c%14ccccc%14)c%14ccccc%14n%16-c%14ccccc%14)cc%13c%11%12)n%10)cc9)cc7n8-c7ccccc7)cc6c45)cc3)n2)cc1
InChIInChI=1S/C108H65N9S2/c1-7-23-68(24-8-1)103-109-104(69-25-9-2-10-26-69)111-106(110-103)72-47-43-67(44-48-72)81-36-21-39-99-101(81)89-61-75(52-57-97(89)118-99)73-50-55-92-85(59-73)83-54-49-77(63-94(83)116(92)79-31-15-5-16-32-79)66-41-45-71(46-42-66)107-112-105(70-27-11-3-12-28-70)113-108(114-107)84-37-22-40-100-102(84)90-62-76(53-58-98(90)119-100)74-51-56-93-86(60-74)88-65-95-87(64-96(88)117(93)80-33-17-6-18-34-80)82-35-19-20-38-91(82)115(95)78-29-13-4-14-30-78/h1-65H
InChIKeyARKYNEAOAJZTCJ-UHFFFAOYSA-N
MW1552.90 g/mol
LogP28.75
Rot. Bonds13

About 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole

2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole (PubChem CID 170265361) has the molecular formula C108H65N9S2 and a molecular weight of 1552.90 g/mol. Its IUPAC name is 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
PubChem CID170265361
Molecular FormulaC108H65N9S2
Molecular Weight1552.90 g/mol
Exact Mass1551.48
IUPAC Name2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8c(c7)c7ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc%12sc%13ccc(-c%14ccc%15c(c%14)c%14cc%16c(cc%14n%15-c%14ccccc%14)c%14ccccc%14n%16-c%14ccccc%14)cc%13c%11%12)n%10)cc9)cc7n8-c7ccccc7)cc6c45)cc3)n2)cc1
InChIInChI=1S/C108H65N9S2/c1-7-23-68(24-8-1)103-109-104(69-25-9-2-10-26-69)111-106(110-103)72-47-43-67(44-48-72)81-36-21-39-99-101(81)89-61-75(52-57-97(89)118-99)73-50-55-92-85(59-73)83-54-49-77(63-94(83)116(92)79-31-15-5-16-32-79)66-41-45-71(46-42-66)107-112-105(70-27-11-3-12-28-70)113-108(114-107)84-37-22-40-100-102(84)90-62-76(53-58-98(90)119-100)74-51-56-93-86(60-74)88-65-95-87(64-96(88)117(93)80-33-17-6-18-34-80)82-35-19-20-38-91(82)115(95)78-29-13-4-14-30-78/h1-65H
InChIKeyARKYNEAOAJZTCJ-UHFFFAOYSA-N
XLogP28.75
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001552.90
LogP ≤ 528.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole 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-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-9-phenylcarbazole
CID 154601853
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 129292000
3-(4-dibenzothiophen-4-ylphenyl)-6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole
CID 154602013
3-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole
CID 168768079
3-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602240
11-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole;11-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158332810
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]carbazole
CID 118507837
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510
3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(2-phenylphenyl)carbazole
CID 154601901
6-(4-dibenzothiophen-2-yl-6-phenanthren-4-yl-1,3,5-triazin-2-yl)-2,9-diphenylcarbazole
CID 169278825

Frequently Asked Questions

What is the IUPAC name of 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The IUPAC name of 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole (CID 170265361) is 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole.
What is the SMILES notation for 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The canonical SMILES for 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5sc6ccc(-c7ccc8c(c7)c7ccc(-c9ccc(-c%10nc(-c%11ccccc%11)nc(-c%11cccc%12sc%13ccc(-c%14ccc%15c(c%14)c%14cc%16c(cc%14n%15-c%14ccccc%14)c%14ccccc%14n%16-c%14ccccc%14)cc%13c%11%12)n%10)cc9)cc7n8-c7ccccc7)cc6c45)cc3)n2)cc1.
What is the InChIKey of 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
The InChIKey is ARKYNEAOAJZTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C108H65N9S2/c1-7-23-68(24-8-1)103-109-104(69-25-9-2-10-26-69)111-106(110-103)72-47-43-67(44-48-72)81-36-21-39-99-101(81)89-61-75(52-57-97(89)118-99)73-50-55-92-85(59-73)83-54-49-77(63-94(83)116(92)79-31-15-5-16-32-79)66-41-45-71(46-42-66)107-112-105(70-27-11-3-12-28-70)113-108(114-107)84-37-22-40-100-102(84)90-62-76(53-58-98(90)119-100)74-51-56-93-86(60-74)88-65-95-87(64-96(88)117(93)80-33-17-6-18-34-80)82-35-19-20-38-91(82)115(95)78-29-13-4-14-30-78/h1-65H.
What are the key properties of 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole?
2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole has a molecular weight of 1552.90 g/mol, XLogP of 28.75, 13 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[4-[4-[6-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-9-phenylcarbazol-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-5,11-diphenylindolo[3,2-b]carbazole is sourced from PubChem (CID 170265361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).