2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole

C129H83N9S — CID 158833817

IUPAC2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c21.c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4c6ccccc6n(-c6ccccc6)c54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4ccc4c6ccccc6sc54)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C46H29N3.C42H29N3.C41H25N3S/c1-3-14-30(15-4-1)44-41-21-9-11-24-42(41)47-46(48-44)40-29-27-35(32-18-7-8-19-34(32)40)33-22-13-23-38-36(33)26-28-39-37-20-10-12-25-43(37)49(45(38)39)31-16-5-2-6-17-31;1-42(2)37-14-8-7-13-35(37)36-22-19-30-25-33(20-21-34(30)38(36)42)41-44-39(31-17-15-26-9-3-5-11-28(26)23-31)43-40(45-41)32-18-16-27-10-4-6-12-29(27)24-32;1-2-11-27(12-3-1)39-42-40(44-41(43-39)31-21-20-26-10-4-5-13-28(26)24-31)30-15-8-14-29(25-30)32-17-9-18-35-33(32)22-23-36-34-16-6-7-19-37(34)45-38(35)36/h1-29H;3-25H,1-2H3;1-25H
InChIKeyIXJMASYYDRMFNG-UHFFFAOYSA-N
MW1791.21 g/mol
LogP33.89
Rot. Bonds11

About 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole

2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole (PubChem CID 158833817) has the molecular formula C129H83N9S and a molecular weight of 1791.21 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole
PubChem CID158833817
Molecular FormulaC129H83N9S
Molecular Weight1791.21 g/mol
Exact Mass1789.65
IUPAC Name2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole
SMILESCC1(C)c2ccccc2-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c21.c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4c6ccccc6n(-c6ccccc6)c54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4ccc4c6ccccc6sc54)c3)nc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C46H29N3.C42H29N3.C41H25N3S/c1-3-14-30(15-4-1)44-41-21-9-11-24-42(41)47-46(48-44)40-29-27-35(32-18-7-8-19-34(32)40)33-22-13-23-38-36(33)26-28-39-37-20-10-12-25-43(37)49(45(38)39)31-16-5-2-6-17-31;1-42(2)37-14-8-7-13-35(37)36-22-19-30-25-33(20-21-34(30)38(36)42)41-44-39(31-17-15-26-9-3-5-11-28(26)23-31)43-40(45-41)32-18-16-27-10-4-6-12-29(27)24-32;1-2-11-27(12-3-1)39-42-40(44-41(43-39)31-21-20-26-10-4-5-13-28(26)24-31)30-15-8-14-29(25-30)32-17-9-18-35-33(32)22-23-36-34-16-6-7-19-37(34)45-38(35)36/h1-29H;3-25H,1-2H3;1-25H
InChIKeyIXJMASYYDRMFNG-UHFFFAOYSA-N
XLogP33.89
TPSA108.05 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms139
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001791.21
LogP ≤ 533.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole 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

5-[9-(4-dibenzothiophen-4-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-[4-(3-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-1-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-naphthalen-2-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole;5-[9-(4-phenanthren-9-ylquinazolin-2-yl)carbazol-2-yl]-11-phenylbenzo[a]carbazole
CID 157365612
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-9-phenylindeno[2,1-a]carbazole
CID 165067702
2-[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 130333806
12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158900614
11-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)-12,12-dimethylindeno[2,1-a]carbazole
CID 126580395
12-(4-dibenzothiophen-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 146642309
12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzothiolo[2,3-a]carbazole;11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole
CID 158627834
9-[4-[5-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]phenyl]phenanthrene;12-(4,6-diphenyl-2-pyridinyl)-[1]benzothiolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene;molecular hydrogen;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenanthrene;15-phenyl-12-(4-phenylquinazolin-2-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 162102666
11-[3-[2,6-bis[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-4-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[2,4-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-6-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole;11-[4-[4,6-bis[3-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]quinazolin-2-yl]phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 160929846
2-[4-(6-dibenzothiophen-4-ylnaphthalen-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 164736793
18-[3-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-(4-naphthalen-2-ylquinazolin-2-yl)phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(3-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene;18-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-9-thia-18-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 158531792
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole?
The IUPAC name of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole (CID 158833817) is 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole.
What is the SMILES notation for 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole?
The canonical SMILES for 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole is CC1(C)c2ccccc2-c2ccc3cc(-c4nc(-c5ccc6ccccc6c5)nc(-c5ccc6ccccc6c5)n4)ccc3c21.c1ccc(-c2nc(-c3ccc(-c4cccc5c4ccc4c6ccccc6n(-c6ccccc6)c54)c4ccccc34)nc3ccccc23)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4ccc4c6ccccc6sc54)c3)nc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole?
The InChIKey is IXJMASYYDRMFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3.C42H29N3.C41H25N3S/c1-3-14-30(15-4-1)44-41-21-9-11-24-42(41)47-46(48-44)40-29-27-35(32-18-7-8-19-34(32)40)33-22-13-23-38-36(33)26-28-39-37-20-10-12-25-43(37)49(45(38)39)31-16-5-2-6-17-31;1-42(2)37-14-8-7-13-35(37)36-22-19-30-25-33(20-21-34(30)38(36)42)41-44-39(31-17-15-26-9-3-5-11-28(26)23-31)43-40(45-41)32-18-16-27-10-4-6-12-29(27)24-32;1-2-11-27(12-3-1)39-42-40(44-41(43-39)31-21-20-26-10-4-5-13-28(26)24-31)30-15-8-14-29(25-30)32-17-9-18-35-33(32)22-23-36-34-16-6-7-19-37(34)45-38(35)36/h1-29H;3-25H,1-2H3;1-25H.
What are the key properties of 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole?
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole has a molecular weight of 1791.21 g/mol, XLogP of 33.89, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-naphthalen-2-yl-4-(3-naphtho[1,2-b][1]benzothiol-4-ylphenyl)-6-phenyl-1,3,5-triazine;11-phenyl-4-[4-(4-phenylquinazolin-2-yl)naphthalen-1-yl]benzo[a]carbazole is sourced from PubChem (CID 158833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).