5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole

C50H44N4 — CID 170017211

IUPAC5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C50H44N4/c1-48(2)26-27-49(3,4)42-30-44-38(29-41(42)48)36-17-11-13-19-43(36)54(44)34-23-20-32(21-24-34)46-51-45(31-14-8-7-9-15-31)52-47(53-46)33-22-25-40-37(28-33)35-16-10-12-18-39(35)50(40,5)6/h7-25,28-30H,26-27H2,1-6H3
InChIKeyONTSYKASWXKXBE-UHFFFAOYSA-N
MW700.93 g/mol
LogP12.62
Rot. Bonds4

About 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole

5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole (PubChem CID 170017211) has the molecular formula C50H44N4 and a molecular weight of 700.93 g/mol. Its IUPAC name is 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole
PubChem CID170017211
Molecular FormulaC50H44N4
Molecular Weight700.93 g/mol
Exact Mass700.36
IUPAC Name5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole
SMILESCC1(C)CCC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)cc1
InChIInChI=1S/C50H44N4/c1-48(2)26-27-49(3,4)42-30-44-38(29-41(42)48)36-17-11-13-19-43(36)54(44)34-23-20-32(21-24-34)46-51-45(31-14-8-7-9-15-31)52-47(53-46)33-22-25-40-37(28-33)35-16-10-12-18-39(35)50(40,5)6/h7-25,28-30H,26-27H2,1-6H3
InChIKeyONTSYKASWXKXBE-UHFFFAOYSA-N
XLogP12.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.93
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole with MolForge

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Related Compounds

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 58059235
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534
3-carbazol-9-yl-9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 147106335
2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5,9-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 157062931
7,7-dimethyl-5-[4-(4-phenanthren-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[2,1-b]carbazole
CID 139342086
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
22-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-5,5,8,8-tetramethyl-12-phenyl-12,22-diazahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4(9),10,14,16,18,20,23-nonaene
CID 177087060
7,7-dimethyl-5-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole;ethane
CID 142377951
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole;3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159306197
3-(9,9-dimethylfluoren-3-yl)-9-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]-6-[4-[4-[4-[3-(9,9-dimethylfluoren-3-yl)carbazol-9-yl]phenyl]phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 126632340
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole?
The IUPAC name of 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole (CID 170017211) is 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole?
The canonical SMILES for 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole is CC1(C)CCC(C)(C)c2cc3c(cc21)c1ccccc1n3-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3ccccc3C4(C)C)n2)cc1.
What is the InChIKey of 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole?
The InChIKey is ONTSYKASWXKXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N4/c1-48(2)26-27-49(3,4)42-30-44-38(29-41(42)48)36-17-11-13-19-43(36)54(44)34-23-20-32(21-24-34)46-51-45(31-14-8-7-9-15-31)52-47(53-46)33-22-25-40-37(28-33)35-16-10-12-18-39(35)50(40,5)6/h7-25,28-30H,26-27H2,1-6H3.
What are the key properties of 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole?
5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole has a molecular weight of 700.93 g/mol, XLogP of 12.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7,10,10-tetramethyl-8,9-dihydrobenzo[b]carbazole is sourced from PubChem (CID 170017211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).