5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole

C102H70N4 — CID 170031644

IUPAC5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=Cc3c(c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n3-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)CC2c2ccccc21
InChIInChI=1S/C102H70N4/c1-102(2)89-47-26-25-46-84(89)86-63-88-87-62-76(75-54-58-83-81-44-22-21-42-79(81)80-43-23-24-45-82(80)85(83)61-75)55-59-91(87)106(92(88)64-90(86)102)78-56-52-71(53-57-78)98-96(69-34-15-6-16-35-69)94(67-30-11-4-12-31-67)93(66-28-9-3-10-29-66)95(68-32-13-5-14-33-68)97(98)70-50-48-65(49-51-70)74-40-27-41-77(60-74)101-104-99(72-36-17-7-18-37-72)103-100(105-101)73-38-19-8-20-39-73/h3-62,64,86H,63H2,1-2H3
InChIKeyIOIOBDXNABKMGP-UHFFFAOYSA-N
MW1351.71 g/mol
LogP26.63
Rot. Bonds12

About 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole

5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole (PubChem CID 170031644) has the molecular formula C102H70N4 and a molecular weight of 1351.71 g/mol. Its IUPAC name is 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole
PubChem CID170031644
Molecular FormulaC102H70N4
Molecular Weight1351.71 g/mol
Exact Mass1350.56
IUPAC Name5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole
SMILESCC1(C)C2=Cc3c(c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n3-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)CC2c2ccccc21
InChIInChI=1S/C102H70N4/c1-102(2)89-47-26-25-46-84(89)86-63-88-87-62-76(75-54-58-83-81-44-22-21-42-79(81)80-43-23-24-45-82(80)85(83)61-75)55-59-91(87)106(92(88)64-90(86)102)78-56-52-71(53-57-78)98-96(69-34-15-6-16-35-69)94(67-30-11-4-12-31-67)93(66-28-9-3-10-29-66)95(68-32-13-5-14-33-68)97(98)70-50-48-65(49-51-70)74-40-27-41-77(60-74)101-104-99(72-36-17-7-18-37-72)103-100(105-101)73-38-19-8-20-39-73/h3-62,64,86H,63H2,1-2H3
InChIKeyIOIOBDXNABKMGP-UHFFFAOYSA-N
XLogP26.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001351.71
LogP ≤ 526.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole with MolForge

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethyl-5-(4-phenylphenyl)-11b,12-dihydroindeno[2,1-b]carbazole
CID 123831442
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]triphenylen-2-yl]-3-phenylcarbazole
CID 148701272
3-[9-[4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 58511500
3-[9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole;3-[9-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]carbazol-3-yl]-9-(9-phenylcarbazol-3-yl)carbazole
CID 158366423
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 162483719
3-[3-[2-(7,7-dimethyl-11b,12-dihydroindeno[2,1-b]carbazol-5-yl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,2-dihydropyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 135303497
3-[9-[4-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 134236862
3-(9-phenylcarbazol-3-yl)-9-[3-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 134236877
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3-triphenylen-2-ylphenyl)carbazole
CID 145322224
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-24,24-dimethyl-3-(4-phenylphenyl)-3-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene
CID 118652913
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazole;3-[9-[4,6-di(triphenylen-2-yl)-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 160886437

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole (CID 170031644) is 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole is CC1(C)C2=Cc3c(c4cc(-c5ccc6c7ccccc7c7ccccc7c6c5)ccc4n3-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccc(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)cc4)cc3)CC2c2ccccc21.
What is the InChIKey of 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole?
The InChIKey is IOIOBDXNABKMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H70N4/c1-102(2)89-47-26-25-46-84(89)86-63-88-87-62-76(75-54-58-83-81-44-22-21-42-79(81)80-43-23-24-45-82(80)85(83)61-75)55-59-91(87)106(92(88)64-90(86)102)78-56-52-71(53-57-78)98-96(69-34-15-6-16-35-69)94(67-30-11-4-12-31-67)93(66-28-9-3-10-29-66)95(68-32-13-5-14-33-68)97(98)70-50-48-65(49-51-70)74-40-27-41-77(60-74)101-104-99(72-36-17-7-18-37-72)103-100(105-101)73-38-19-8-20-39-73/h3-62,64,86H,63H2,1-2H3.
What are the key properties of 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole?
5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole has a molecular weight of 1351.71 g/mol, XLogP of 26.63, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3,4,5,6-tetraphenylphenyl]phenyl]-7,7-dimethyl-2-triphenylen-2-yl-11b,12-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 170031644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).