9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

C52H37N5 — CID 134431940

IUPAC9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc21
InChIInChI=1S/C52H37N5/c1-52(2)42-24-14-15-25-44(42)56(39-21-10-5-11-22-39)45-30-28-37(32-43(45)52)38-26-29-41-47(33-38)57(46-31-27-34-16-12-13-23-40(34)48(41)46)51-54-49(35-17-6-3-7-18-35)53-50(55-51)36-19-8-4-9-20-36/h3-33H,1-2H3
InChIKeyGSSOLORKYLSRLC-UHFFFAOYSA-N
MW731.90 g/mol
LogP13.23
Rot. Bonds5

About 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole

9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (PubChem CID 134431940) has the molecular formula C52H37N5 and a molecular weight of 731.90 g/mol. Its IUPAC name is 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.

Molecular Properties

Compound Name9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
PubChem CID134431940
Molecular FormulaC52H37N5
Molecular Weight731.90 g/mol
Exact Mass731.30
IUPAC Name9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
SMILESCC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc21
InChIInChI=1S/C52H37N5/c1-52(2)42-24-14-15-25-44(42)56(39-21-10-5-11-22-39)45-30-28-37(32-43(45)52)38-26-29-41-47(33-38)57(46-31-27-34-16-12-13-23-40(34)48(41)46)51-54-49(35-17-6-3-7-18-35)53-50(55-51)36-19-8-4-9-20-36/h3-33H,1-2H3
InChIKeyGSSOLORKYLSRLC-UHFFFAOYSA-N
XLogP13.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.90
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
10-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylquinazolin-2-yl)phenyl]benzo[c]carbazole
CID 134431272
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4-phenyl-6a,10a-dihydrobenzo[h]quinazolin-2-yl)benzo[c]carbazole
CID 134431357
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-10-phenylacridine
CID 71007166
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9-dimethyl-2-(9-phenylcarbazol-3-yl)acridine
CID 118528312
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 134431503
2-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-9,9-dimethyl-10-phenylacridine
CID 118472949
6-(4,6-diphenyl-1,3,5-triazin-2-yl)-14,14-dimethyl-10,21-diphenyl-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene;25-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,4-dimethyl-11-phenyl-11,25-diazahexacyclo[12.11.0.03,12.05,10.015,24.016,21]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene;10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21-phenyl-14-thia-10,21-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 162146233
7-(4,6-diphenylpyrimidin-2-yl)-9-[3,4,4-trimethyl-1-phenyl-2-[(Z)-prop-1-enyl]quinolin-6-yl]benzo[c]carbazole
CID 134431946
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431410
7-(9,9-dimethyl-1,8-diphenylcyclopenta[f]quinazolin-3-yl)-10-(9,9-dimethyl-10-phenylacridin-2-yl)benzo[c]carbazole
CID 131998839

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The IUPAC name of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole (CID 134431940) is 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole.
What is the SMILES notation for 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The canonical SMILES for 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is CC1(C)c2ccccc2N(c2ccccc2)c2ccc(-c3ccc4c5c6ccccc6ccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3)cc21.
What is the InChIKey of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
The InChIKey is GSSOLORKYLSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H37N5/c1-52(2)42-24-14-15-25-44(42)56(39-21-10-5-11-22-39)45-30-28-37(32-43(45)52)38-26-29-41-47(33-38)57(46-31-27-34-16-12-13-23-40(34)48(41)46)51-54-49(35-17-6-3-7-18-35)53-50(55-51)36-19-8-4-9-20-36/h3-33H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole?
9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole has a molecular weight of 731.90 g/mol, XLogP of 13.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole is sourced from PubChem (CID 134431940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).