N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine

C60H39N5OS — CID 171726933

IUPACN-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cccc21
InChIInChI=1S/C60H39N5OS/c1-60(2)47-21-10-6-20-45(47)56-48(60)22-14-24-50(56)65(39-29-31-43-42-18-8-12-25-52(42)66-53(43)35-39)59-62-57(36-28-32-55-46(33-36)44-19-9-13-26-54(44)67-55)61-58(63-59)37-27-30-41-40-17-7-11-23-49(40)64(51(41)34-37)38-15-4-3-5-16-38/h3-35H,1-2H3
InChIKeyXHSZWHYNKVVZBX-UHFFFAOYSA-N
MW878.07 g/mol
LogP16.35
Rot. Bonds6

About N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine

N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine (PubChem CID 171726933) has the molecular formula C60H39N5OS and a molecular weight of 878.07 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
PubChem CID171726933
Molecular FormulaC60H39N5OS
Molecular Weight878.07 g/mol
Exact Mass877.29
IUPAC NameN-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine
SMILESCC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cccc21
InChIInChI=1S/C60H39N5OS/c1-60(2)47-21-10-6-20-45(47)56-48(60)22-14-24-50(56)65(39-29-31-43-42-18-8-12-25-52(42)66-53(43)35-39)59-62-57(36-28-32-55-46(33-36)44-19-9-13-26-54(44)67-55)61-58(63-59)37-27-30-41-40-17-7-11-23-49(40)64(51(41)34-37)38-15-4-3-5-16-38/h3-35H,1-2H3
InChIKeyXHSZWHYNKVVZBX-UHFFFAOYSA-N
XLogP16.35
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500878.07
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-dibenzofuran-3-yl-N-(9,9-dimethylfluoren-4-yl)-4-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-amine
CID 171727025
4-dibenzofuran-2-yl-6-dibenzothiophen-3-yl-N-(9,9-dimethylfluoren-4-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171727012
2-(4-dibenzofuran-2-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534556
N-(3-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine;N-(2-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine;N-(4-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-1-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[2-(9-phenylcarbazol-1-yl)phenyl]fluoren-1-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 160602318
N-dibenzofuran-3-yl-3-dibenzothiophen-2-yl-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164976974
5-[4-dibenzofuran-1-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11,11-dimethylindeno[1,2-b]carbazole;11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[3,2-b]carbazole;11-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 158901349
N,N-bis(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 138484969
N-(3-dibenzofuran-3-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-phenylcarbazol-2-amine
CID 170139036
N-dibenzofuran-2-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-dibenzofuran-3-yl-9-(4-fluorophenyl)-N-(9-phenylcarbazol-3-yl)carbazol-2-amine;N-(9,9-dimethylfluoren-4-yl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine;N-(4-fluorophenyl)-N-[9-(4-fluorophenyl)carbazol-3-yl]-9-phenylcarbazol-2-amine
CID 157254887
3-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 129291947
2-[8-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 158697804
N-(9,9-dimethylfluoren-4-yl)-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 138484635

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine (CID 171726933) is N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine is CC1(C)c2ccccc2-c2c(N(c3ccc4c(c3)oc3ccccc34)c3nc(-c4ccc5sc6ccccc6c5c4)nc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)n3)cccc21.
What is the InChIKey of N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is XHSZWHYNKVVZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N5OS/c1-60(2)47-21-10-6-20-45(47)56-48(60)22-14-24-50(56)65(39-29-31-43-42-18-8-12-25-52(42)66-53(43)35-39)59-62-57(36-28-32-55-46(33-36)44-19-9-13-26-54(44)67-55)61-58(63-59)37-27-30-41-40-17-7-11-23-49(40)64(51(41)34-37)38-15-4-3-5-16-38/h3-35H,1-2H3.
What are the key properties of N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine?
N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 878.07 g/mol, XLogP of 16.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-4-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 171726933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).