2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

C44H31N3 — CID 155465513

IUPAC2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3cc21
InChIInChI=1S/C44H31N3/c1-44(2)39-20-12-11-19-36(39)38-26-30-21-22-31(25-32(30)27-40(38)44)33-23-24-37(35-18-10-9-17-34(33)35)43-46-41(28-13-5-3-6-14-28)45-42(47-43)29-15-7-4-8-16-29/h3-27H,1-2H3
InChIKeyOKTCXTMPLYGFOV-UHFFFAOYSA-N
MW601.75 g/mol
LogP11.15
Rot. Bonds4

About 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine

2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155465513) has the molecular formula C44H31N3 and a molecular weight of 601.75 g/mol. Its IUPAC name is 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155465513
Molecular FormulaC44H31N3
Molecular Weight601.75 g/mol
Exact Mass601.25
IUPAC Name2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3cc21
InChIInChI=1S/C44H31N3/c1-44(2)39-20-12-11-19-36(39)38-26-30-21-22-31(25-32(30)27-40(38)44)33-23-24-37(35-18-10-9-17-34(33)35)43-46-41(28-13-5-3-6-14-28)45-42(47-43)29-15-7-4-8-16-29/h3-27H,1-2H3
InChIKeyOKTCXTMPLYGFOV-UHFFFAOYSA-N
XLogP11.15
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.75
LogP ≤ 511.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(17,17-dimethyl-6-hexacyclo[12.11.0.02,11.03,8.016,24.018,23]pentacosa-1(25),2(11),3(8),4,6,9,12,14,16(24),18,20,22-dodecaenyl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 164721888
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidine
CID 168779140
2-(11,11-dimethylbenzo[b]fluoren-6-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-7-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-8-yl)-4-naphthalen-1-yl-6-phenyl-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-8-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(11,11-dimethylbenzo[b]fluoren-9-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157383875
4-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 168777339
2-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427220
10,10-dimethyl-7,17-bis(4-phenylnaphthalen-1-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,7,12,14,16,18,20-decaene
CID 58175520
2-[4-(9,9-dimethylfluoren-3-yl)naphthalen-1-yl]-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 118427313
2-[4-(11,11-dimethylbenzo[b]fluoren-2-yl)naphthalen-1-yl]-4,6-diphenylpyrimidine
CID 168778998
2-[4-[4-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 129228023
2-[4-(11,11-dimethylbenzo[b]fluoren-6-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine;2-[3-(11,11-dimethylbenzo[b]fluoren-9-yl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;2-[4-(11,11-diphenylbenzo[b]fluoren-7-yl)naphthalen-2-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 159082220
2-[4-[3-(11,11-dimethylbenzo[b]fluoren-2-yl)phenyl]naphthalen-1-yl]-4-naphthalen-2-yl-6-phenylpyrimidine
CID 168777582
2-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613745

Frequently Asked Questions

What is the IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 155465513) is 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cc3ccc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c5ccccc45)cc3cc21.
What is the InChIKey of 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is OKTCXTMPLYGFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H31N3/c1-44(2)39-20-12-11-19-36(39)38-26-30-21-22-31(25-32(30)27-40(38)44)33-23-24-37(35-18-10-9-17-34(33)35)43-46-41(28-13-5-3-6-14-28)45-42(47-43)29-15-7-4-8-16-29/h3-27H,1-2H3.
What are the key properties of 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 601.75 g/mol, XLogP of 11.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(11,11-dimethylbenzo[b]fluoren-8-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155465513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).