9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole

C70H50N6 — CID 121459405

IUPAC9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole
SMILESCC1=CC2c3cc(-c4ccc5c(c4)c4cc(N6C7=CC=CCC7=C7C=C(c8ccccc8)C=CC76)ccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C70H50N6/c1-45-26-35-63-57(40-45)59-42-51(30-37-65(59)74(63)53-22-12-5-13-23-53)52-31-38-66-60(43-52)61-44-55(76-62-25-15-14-24-56(62)58-41-50(29-36-64(58)76)46-16-6-2-7-17-46)34-39-67(61)75(66)54-32-27-49(28-33-54)70-72-68(47-18-8-3-9-19-47)71-69(73-70)48-20-10-4-11-21-48/h2-23,25-44,57,63-64H,24H2,1H3
InChIKeyUBJAOFCUTVGRNT-UHFFFAOYSA-N
MW975.21 g/mol
LogP16.74
Rot. Bonds8

About 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole (PubChem CID 121459405) has the molecular formula C70H50N6 and a molecular weight of 975.21 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole.

Molecular Properties

Compound Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole
PubChem CID121459405
Molecular FormulaC70H50N6
Molecular Weight975.21 g/mol
Exact Mass974.41
IUPAC Name9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole
SMILESCC1=CC2c3cc(-c4ccc5c(c4)c4cc(N6C7=CC=CCC7=C7C=C(c8ccccc8)C=CC76)ccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3N(c3ccccc3)C2C=C1
InChIInChI=1S/C70H50N6/c1-45-26-35-63-57(40-45)59-42-51(30-37-65(59)74(63)53-22-12-5-13-23-53)52-31-38-66-60(43-52)61-44-55(76-62-25-15-14-24-56(62)58-41-50(29-36-64(58)76)46-16-6-2-7-17-46)34-39-67(61)75(66)54-32-27-49(28-33-54)70-72-68(47-18-8-3-9-19-47)71-69(73-70)48-20-10-4-11-21-48/h2-23,25-44,57,63-64H,24H2,1H3
InChIKeyUBJAOFCUTVGRNT-UHFFFAOYSA-N
XLogP16.74
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500975.21
LogP ≤ 516.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole with MolForge

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Related Compounds

3-(3,6-diphenyl-4,8a-dihydrocarbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 121459382
9-phenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)-4a,9a-dihydrocarbazol-3-yl]carbazole
CID 121475725
3-[4-[3-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456140
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazol-3-yl]-6-phenyl-4a,9a-dihydrocarbazol-9-yl]-N,N-diphenylaniline
CID 88867268
1-N,3-N,5-N-triphenyl-5-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N,3-N-bis[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3,5-triamine
CID 89234982
5-N-(6,9-diphenyl-4b,8a-dihydrocarbazol-3-yl)-1-N,3-N-bis(6,9-diphenylcarbazol-3-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 89235026
3-[9-(4,6-diphenylpyrimidin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9-phenyl-4a,9a-dihydrocarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4a,9a-dihydrocarbazol-3-yl]-9-phenyl-4a,9a-dihydrocarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 157423002
14-[6-[6-(14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-yl)-9-phenyl-4a,9a-dihydrocarbazol-3-yl]-9-phenylcarbazol-3-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 89285749
9-[2-(3,6-dimethyl-4a,9a-dihydrocarbazol-9-yl)-6-(3,6-dimethylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 170002503
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4a,9a-dihydrocarbazol-9-yl]phenyl]-9-phenylcarbazole
CID 139456080
1-N,3-N-dinaphthalen-1-yl-3-N-[9-phenyl-6-(4-phenylphenyl)-4b,8a-dihydrocarbazol-3-yl]-1-N-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 89030421
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-diphenyl-4a,9a-dihydrocarbazole
CID 138666201

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole?
The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole (CID 121459405) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole.
What is the SMILES notation for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole?
The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole is CC1=CC2c3cc(-c4ccc5c(c4)c4cc(N6C7=CC=CCC7=C7C=C(c8ccccc8)C=CC76)ccc4n5-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3N(c3ccccc3)C2C=C1.
What is the InChIKey of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole?
The InChIKey is UBJAOFCUTVGRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H50N6/c1-45-26-35-63-57(40-45)59-42-51(30-37-65(59)74(63)53-22-12-5-13-23-53)52-31-38-66-60(43-52)61-44-55(76-62-25-15-14-24-56(62)58-41-50(29-36-64(58)76)46-16-6-2-7-17-46)34-39-67(61)75(66)54-32-27-49(28-33-54)70-72-68(47-18-8-3-9-19-47)71-69(73-70)48-20-10-4-11-21-48/h2-23,25-44,57,63-64H,24H2,1H3.
What are the key properties of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole?
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole has a molecular weight of 975.21 g/mol, XLogP of 16.74, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-methyl-9-phenyl-4b,8a-dihydrocarbazol-3-yl)-6-(6-phenyl-4,8a-dihydrocarbazol-9-yl)carbazole is sourced from PubChem (CID 121459405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).