4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline

C133H88F6N10 — CID 129294415

IUPAC4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline
SMILESCc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-n3c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4cc(-c5ccc6c7ccccc7c7cc(-c8cc(-c9nc(-c%10ccc(C(F)(F)F)cc%10)nc(-n%10c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)cc%11c%11cc(-c%12ccc%13c(c%12)c%12c%14ccccc%14ccc%12n%13-c%12ccccc%12)ccc%11%10)n9)ccc8C(F)(F)F)ccc7c6c5)ccc43)n2)c1
InChIInChI=1S/C133H88F6N10/c1-77-62-78(2)65-93(64-77)127-141-128(94-66-79(3)63-80(4)67-94)145-130(144-127)149-120-57-44-86(70-112(120)113-72-88(46-59-121(113)149)90-39-54-106-105-32-20-21-33-115(105)131(5,6)117(106)76-90)85-38-52-103-101-30-18-19-31-102(101)109-74-91(40-53-104(109)108(103)68-85)107-75-92(41-55-116(107)133(137,138)139)126-140-125(83-34-48-95(49-35-83)132(134,135)136)142-129(143-126)148-118-56-43-84(81-36-50-99(51-37-81)146(96-23-10-7-11-24-96)97-25-12-8-13-26-97)69-110(118)111-71-87(45-58-119(111)148)89-47-60-122-114(73-89)124-100-29-17-16-22-82(100)42-61-123(124)147(122)98-27-14-9-15-28-98/h7-76H,1-6H3
InChIKeyXYPCDQQCMJTMPM-UHFFFAOYSA-N
MW1940.22 g/mol
LogP36.01
Rot. Bonds15

About 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline

4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline (PubChem CID 129294415) has the molecular formula C133H88F6N10 and a molecular weight of 1940.22 g/mol. Its IUPAC name is 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline
PubChem CID129294415
Molecular FormulaC133H88F6N10
Molecular Weight1940.22 g/mol
Exact Mass1938.71
IUPAC Name4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline
SMILESCc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-n3c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4cc(-c5ccc6c7ccccc7c7cc(-c8cc(-c9nc(-c%10ccc(C(F)(F)F)cc%10)nc(-n%10c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)cc%11c%11cc(-c%12ccc%13c(c%12)c%12c%14ccccc%14ccc%12n%13-c%12ccccc%12)ccc%11%10)n9)ccc8C(F)(F)F)ccc7c6c5)ccc43)n2)c1
InChIInChI=1S/C133H88F6N10/c1-77-62-78(2)65-93(64-77)127-141-128(94-66-79(3)63-80(4)67-94)145-130(144-127)149-120-57-44-86(70-112(120)113-72-88(46-59-121(113)149)90-39-54-106-105-32-20-21-33-115(105)131(5,6)117(106)76-90)85-38-52-103-101-30-18-19-31-102(101)109-74-91(40-53-104(109)108(103)68-85)107-75-92(41-55-116(107)133(137,138)139)126-140-125(83-34-48-95(49-35-83)132(134,135)136)142-129(143-126)148-118-56-43-84(81-36-50-99(51-37-81)146(96-23-10-7-11-24-96)97-25-12-8-13-26-97)69-110(118)111-71-87(45-58-119(111)148)89-47-60-122-114(73-89)124-100-29-17-16-22-82(100)42-61-123(124)147(122)98-27-14-9-15-28-98/h7-76H,1-6H3
InChIKeyXYPCDQQCMJTMPM-UHFFFAOYSA-N
XLogP36.01
TPSA95.37 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001940.22
LogP ≤ 536.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline (CID 129294415) is 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline is Cc1cc(C)cc(-c2nc(-c3cc(C)cc(C)c3)nc(-n3c4ccc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4c4cc(-c5ccc6c7ccccc7c7cc(-c8cc(-c9nc(-c%10ccc(C(F)(F)F)cc%10)nc(-n%10c%11ccc(-c%12ccc(N(c%13ccccc%13)c%13ccccc%13)cc%12)cc%11c%11cc(-c%12ccc%13c(c%12)c%12c%14ccccc%14ccc%12n%13-c%12ccccc%12)ccc%11%10)n9)ccc8C(F)(F)F)ccc7c6c5)ccc43)n2)c1.
What is the InChIKey of 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline?
The InChIKey is XYPCDQQCMJTMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C133H88F6N10/c1-77-62-78(2)65-93(64-77)127-141-128(94-66-79(3)63-80(4)67-94)145-130(144-127)149-120-57-44-86(70-112(120)113-72-88(46-59-121(113)149)90-39-54-106-105-32-20-21-33-115(105)131(5,6)117(106)76-90)85-38-52-103-101-30-18-19-31-102(101)109-74-91(40-53-104(109)108(103)68-85)107-75-92(41-55-116(107)133(137,138)139)126-140-125(83-34-48-95(49-35-83)132(134,135)136)142-129(143-126)148-118-56-43-84(81-36-50-99(51-37-81)146(96-23-10-7-11-24-96)97-25-12-8-13-26-97)69-110(118)111-71-87(45-58-119(111)148)89-47-60-122-114(73-89)124-100-29-17-16-22-82(100)42-61-123(124)147(122)98-27-14-9-15-28-98/h7-76H,1-6H3.
What are the key properties of 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline?
4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline has a molecular weight of 1940.22 g/mol, XLogP of 36.01, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-[3-[6-[9-[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]-6-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]triphenylen-2-yl]-4-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-6-(7-phenylbenzo[c]carbazol-10-yl)carbazol-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 129294415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).