7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine

C86H61N5Si — CID 140829871

IUPAC7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)[Si](C)(C)c5cc(N(c7ccc(-c8ccccc8)cc7)c7cccc(-c8ccccc8)c7)ccc5-6)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c3cc21
InChIInChI=1S/C86H61N5Si/c1-86(2)77-34-19-18-33-70(77)74-52-76-75-48-59(39-46-79(75)91(80(76)53-78(74)86)85-88-83(57-25-12-7-13-26-57)87-84(89-85)61-38-43-69-67-31-15-14-29-65(67)66-30-16-17-32-68(66)73(69)49-61)60-37-44-71-72-45-42-64(51-82(72)92(3,4)81(71)50-60)90(62-40-35-56(36-41-62)54-21-8-5-9-22-54)63-28-20-27-58(47-63)55-23-10-6-11-24-55/h5-53H,1-4H3
InChIKeyLFKHJQAVLNXCOM-UHFFFAOYSA-N
MW1192.55 g/mol
LogP21.34
Rot. Bonds9

About 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine

7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine (PubChem CID 140829871) has the molecular formula C86H61N5Si and a molecular weight of 1192.55 g/mol. Its IUPAC name is 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine.

Molecular Properties

Compound Name7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
PubChem CID140829871
Molecular FormulaC86H61N5Si
Molecular Weight1192.55 g/mol
Exact Mass1191.47
IUPAC Name7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)[Si](C)(C)c5cc(N(c7ccc(-c8ccccc8)cc7)c7cccc(-c8ccccc8)c7)ccc5-6)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c3cc21
InChIInChI=1S/C86H61N5Si/c1-86(2)77-34-19-18-33-70(77)74-52-76-75-48-59(39-46-79(75)91(80(76)53-78(74)86)85-88-83(57-25-12-7-13-26-57)87-84(89-85)61-38-43-69-67-31-15-14-29-65(67)66-30-16-17-32-68(66)73(69)49-61)60-37-44-71-72-45-42-64(51-82(72)92(3,4)81(71)50-60)90(62-40-35-56(36-41-62)54-21-8-5-9-22-54)63-28-20-27-58(47-63)55-23-10-6-11-24-55/h5-53H,1-4H3
InChIKeyLFKHJQAVLNXCOM-UHFFFAOYSA-N
XLogP21.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.55
LogP ≤ 521.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine with MolForge

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Related Compounds

5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 87159836
5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4,6-bis(3,5-diphenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole;5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethyl-2-phenylindeno[2,1-b]carbazole
CID 159343293
7,7-dimethyl-2-(9-phenylcarbazol-3-yl)-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indeno[2,1-b]carbazole
CID 130209432
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599
5-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-7,7-dimethylindeno[2,1-b]carbazole;methane
CID 160846132
N-[3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 90185797
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
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-N-(3-phenylphenyl)-N,5-bis(4-phenylphenyl)indeno[2,1-b]carbazol-3-amine
CID 137385657
4-[9-[bis[3-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]-[4-[3-(4-methyl-3,5-diphenylphenyl)phenyl]phenyl]silyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]-N,N-diphenylaniline
CID 88917348
N-(9,9-dimethylfluoren-2-yl)-20,20-dimethyl-N-phenyl-4-[4-(N-phenylanilino)phenyl]-20-silahexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaen-17-amine
CID 140756967
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
CID 118668023

Frequently Asked Questions

What is the IUPAC name of 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
The IUPAC name of 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine (CID 140829871) is 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine.
What is the SMILES notation for 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
The canonical SMILES for 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc6c(c5)[Si](C)(C)c5cc(N(c7ccc(-c8ccccc8)cc7)c7cccc(-c8ccccc8)c7)ccc5-6)ccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6c7ccccc7c7ccccc7c6c5)n4)c3cc21.
What is the InChIKey of 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
The InChIKey is LFKHJQAVLNXCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H61N5Si/c1-86(2)77-34-19-18-33-70(77)74-52-76-75-48-59(39-46-79(75)91(80(76)53-78(74)86)85-88-83(57-25-12-7-13-26-57)87-84(89-85)61-38-43-69-67-31-15-14-29-65(67)66-30-16-17-32-68(66)73(69)49-61)60-37-44-71-72-45-42-64(51-82(72)92(3,4)81(71)50-60)90(62-40-35-56(36-41-62)54-21-8-5-9-22-54)63-28-20-27-58(47-63)55-23-10-6-11-24-55/h5-53H,1-4H3.
What are the key properties of 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine?
7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine has a molecular weight of 1192.55 g/mol, XLogP of 21.34, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7,7-dimethyl-5-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)indeno[2,1-b]carbazol-2-yl]-5,5-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)benzo[b][1]benzosilol-3-amine is sourced from PubChem (CID 140829871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).