7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole

C46H40N4 — CID 170567748

IUPAC7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6ccccc6ccc54)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C46H40N4/c1-44(2)36-27-34(29-17-9-7-10-18-29)35(28-37(36)45(3,4)46(44,5)6)42-47-41(31-20-11-8-12-21-31)48-43(49-42)50-38-24-16-15-23-33(38)40-32-22-14-13-19-30(32)25-26-39(40)50/h7-28H,1-6H3
InChIKeyRURRLZRZIJPQPX-UHFFFAOYSA-N
MW648.85 g/mol
LogP11.72
Rot. Bonds4

About 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole

7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole (PubChem CID 170567748) has the molecular formula C46H40N4 and a molecular weight of 648.85 g/mol. Its IUPAC name is 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole
PubChem CID170567748
Molecular FormulaC46H40N4
Molecular Weight648.85 g/mol
Exact Mass648.33
IUPAC Name7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole
SMILESCC1(C)c2cc(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6ccccc6ccc54)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C46H40N4/c1-44(2)36-27-34(29-17-9-7-10-18-29)35(28-37(36)45(3,4)46(44,5)6)42-47-41(31-20-11-8-12-21-31)48-43(49-42)50-38-24-16-15-23-33(38)40-32-22-14-13-19-30(32)25-26-39(40)50/h7-28H,1-6H3
InChIKeyRURRLZRZIJPQPX-UHFFFAOYSA-N
XLogP11.72
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.85
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
22-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597974
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166915499
7-[3-[4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazin-2-yl]naphthalen-2-yl]benzo[c]carbazole
CID 166916847
18-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-18-azahexacyclo[12.11.0.02,11.03,8.017,25.019,24]pentacosa-1(14),2(11),3,5,7,9,12,15,17(25),19,21,23-dodecaene
CID 158518596
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
7-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 167031894
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,3-dimethylcyclopenta[c]carbazole
CID 121322463
7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-10-phenylbenzo[c]carbazole
CID 118133197
9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]carbazol-4-yl]carbazole
CID 176871191
7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]benzo[c]carbazole
CID 164781358

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole?
The IUPAC name of 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) is 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole is CC1(C)c2cc(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6ccccc6ccc54)n3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole?
The InChIKey is RURRLZRZIJPQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H40N4/c1-44(2)36-27-34(29-17-9-7-10-18-29)35(28-37(36)45(3,4)46(44,5)6)42-47-41(31-20-11-8-12-21-31)48-43(49-42)50-38-24-16-15-23-33(38)40-32-22-14-13-19-30(32)25-26-39(40)50/h7-28H,1-6H3.
What are the key properties of 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole?
7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole has a molecular weight of 648.85 g/mol, XLogP of 11.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1,1,2,2,3,3-hexamethyl-6-phenylinden-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 170567748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).