4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole

C54H46N4 — CID 170567720

IUPAC4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C54H46N4/c1-52(2)44-33-42(35-29-31-38(32-30-35)51-56-49(36-19-10-7-11-20-36)55-50(57-51)37-21-12-8-13-22-37)43(34-45(44)53(3,4)54(52,5)6)40-26-18-28-47-48(40)41-25-16-17-27-46(41)58(47)39-23-14-9-15-24-39/h7-34H,1-6H3
InChIKeyLHZMYANADWZDHQ-UHFFFAOYSA-N
MW750.99 g/mol
LogP13.90
Rot. Bonds6

About 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole

4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole (PubChem CID 170567720) has the molecular formula C54H46N4 and a molecular weight of 750.99 g/mol. Its IUPAC name is 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole
PubChem CID170567720
Molecular FormulaC54H46N4
Molecular Weight750.99 g/mol
Exact Mass750.37
IUPAC Name4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole
SMILESCC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C54H46N4/c1-52(2)44-33-42(35-29-31-38(32-30-35)51-56-49(36-19-10-7-11-20-36)55-50(57-51)37-21-12-8-13-22-37)43(34-45(44)53(3,4)54(52,5)6)40-26-18-28-47-48(40)41-25-16-17-27-46(41)58(47)39-23-14-9-15-24-39/h7-34H,1-6H3
InChIKeyLHZMYANADWZDHQ-UHFFFAOYSA-N
XLogP13.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.99
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
4-(9-phenylcarbazol-4-yl)-9-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305706
3-(1,1,2,2,3,3-hexamethyl-6-triphenylen-1-ylinden-5-yl)-6,9-diphenylcarbazole
CID 170567795
7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole
CID 170567748
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 176837765
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-[4-(1,1,2,2,3,3-hexamethylinden-4-yl)phenyl]indolo[2,3-a]carbazole
CID 167267779
4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-dimethylfluoren-1-yl]-9-phenylcarbazole
CID 167378818
4-(9-phenylcarbazol-4-yl)-9-[5-phenyl-2-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 174270072
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
14-(4,6-diphenyl-1,3,5-triazin-2-yl)-18,18,19,19,20,20-hexamethyl-10-phenyl-10,14-diazahexacyclo[11.10.0.03,11.04,9.015,23.017,21]tricosa-1(13),2,4,6,8,11,15,17(21),22-nonaene
CID 126598951
9-[4-(4-phenylphenyl)phenyl]-4-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 166984413

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole?
The IUPAC name of 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole (CID 170567720) is 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole is CC1(C)c2cc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole?
The InChIKey is LHZMYANADWZDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H46N4/c1-52(2)44-33-42(35-29-31-38(32-30-35)51-56-49(36-19-10-7-11-20-36)55-50(57-51)37-21-12-8-13-22-37)43(34-45(44)53(3,4)54(52,5)6)40-26-18-28-47-48(40)41-25-16-17-27-46(41)58(47)39-23-14-9-15-24-39/h7-34H,1-6H3.
What are the key properties of 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole?
4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole has a molecular weight of 750.99 g/mol, XLogP of 13.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1,1,2,2,3,3-hexamethylinden-5-yl]-9-phenylcarbazole is sourced from PubChem (CID 170567720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).