3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole

C56H38N4 — CID 155465840

IUPAC3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3c21
InChIInChI=1S/C56H38N4/c1-56(2)49-29-26-39(40-27-30-51-48(33-40)44-19-11-12-20-50(44)60(51)43-17-7-4-8-18-43)32-47(49)45-28-25-36-22-24-42(34-46(36)52(45)56)55-58-53(37-14-5-3-6-15-37)57-54(59-55)41-23-21-35-13-9-10-16-38(35)31-41/h3-34H,1-2H3
InChIKeyCNDBJGAHARBTGZ-UHFFFAOYSA-N
MW766.95 g/mol
LogP14.25
Rot. Bonds5

About 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole

3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole (PubChem CID 155465840) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole
PubChem CID155465840
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole
SMILESCC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3c21
InChIInChI=1S/C56H38N4/c1-56(2)49-29-26-39(40-27-30-51-48(33-40)44-19-11-12-20-50(44)60(51)43-17-7-4-8-18-43)32-47(49)45-28-25-36-22-24-42(34-46(36)52(45)56)55-58-53(37-14-5-3-6-15-37)57-54(59-55)41-23-21-35-13-9-10-16-38(35)31-41/h3-34H,1-2H3
InChIKeyCNDBJGAHARBTGZ-UHFFFAOYSA-N
XLogP14.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 514.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 130304706
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
3-phenyl-9-[4-[4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 167031817
16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-6-phenyl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene
CID 139365739
2,4-dinaphthalen-2-yl-6-(7-naphthalen-1-yl-11,11-diphenylbenzo[a]fluoren-4-yl)-1,3,5-triazine;2-[11,11-diphenyl-7-(3-phenylphenyl)benzo[a]fluoren-4-yl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine;3-[2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-11,11-diphenylbenzo[a]fluoren-8-yl]-9-phenylcarbazole
CID 157342295
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
5-[4-[4-naphthalen-2-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621318
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
6-(9,9-dimethylfluoren-2-yl)-1-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327732
9-[4-[4-(4-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 146622020
9-[3-[4-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 166915555
2-[3-[4-naphthalen-2-yl-6-(3-phenylcarbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 137401845

Frequently Asked Questions

What is the IUPAC name of 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole?
The IUPAC name of 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole (CID 155465840) is 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)cc2-c2ccc3ccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)cc3c21.
What is the InChIKey of 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole?
The InChIKey is CNDBJGAHARBTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-56(2)49-29-26-39(40-27-30-51-48(33-40)44-19-11-12-20-50(44)60(51)43-17-7-4-8-18-43)32-47(49)45-28-25-36-22-24-42(34-46(36)52(45)56)55-58-53(37-14-5-3-6-15-37)57-54(59-55)41-23-21-35-13-9-10-16-38(35)31-41/h3-34H,1-2H3.
What are the key properties of 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole?
3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole has a molecular weight of 766.95 g/mol, XLogP of 14.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[11,11-dimethyl-2-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)benzo[a]fluoren-8-yl]-9-phenylcarbazole is sourced from PubChem (CID 155465840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).