10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole

C65H46N4O — CID 142568970

IUPAC10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)nc(-c8ccc9c%10c(oc9c8)C8CC8C=C%10)n7)c56)c4)c3)cc21
InChIInChI=1S/C65H46N4O/c1-65(2)56-24-9-8-21-49(56)50-29-26-43(36-57(50)65)41-17-10-16-40(33-41)42-18-11-19-44(34-42)48-22-12-23-52-53-31-25-38-13-6-7-20-47(38)59(53)69(60(48)52)64-67-62(39-14-4-3-5-15-39)66-63(68-64)46-28-30-51-54-32-27-45-35-55(45)61(54)70-58(51)37-46/h3-7,9-20,22-34,36-37,45,55H,8,21,35H2,1-2H3
InChIKeyIJWAPXLMVVGKIU-UHFFFAOYSA-N
MW899.11 g/mol
LogP16.73
Rot. Bonds6

About 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole

10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole (PubChem CID 142568970) has the molecular formula C65H46N4O and a molecular weight of 899.11 g/mol. Its IUPAC name is 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole.

Molecular Properties

Compound Name10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole
PubChem CID142568970
Molecular FormulaC65H46N4O
Molecular Weight899.11 g/mol
Exact Mass898.37
IUPAC Name10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole
SMILESCC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)nc(-c8ccc9c%10c(oc9c8)C8CC8C=C%10)n7)c56)c4)c3)cc21
InChIInChI=1S/C65H46N4O/c1-65(2)56-24-9-8-21-49(56)50-29-26-43(36-57(50)65)41-17-10-16-40(33-41)42-18-11-19-44(34-42)48-22-12-23-52-53-31-25-38-13-6-7-20-47(38)59(53)69(60(48)52)64-67-62(39-14-4-3-5-15-39)66-63(68-64)46-28-30-51-54-32-27-45-35-55(45)61(54)70-58(51)37-46/h3-7,9-20,22-34,36-37,45,55H,8,21,35H2,1-2H3
InChIKeyIJWAPXLMVVGKIU-UHFFFAOYSA-N
XLogP16.73
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.11
LogP ≤ 516.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole with MolForge

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Related Compounds

11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[3-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]benzo[a]carbazole;ethane
CID 142569292
9-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole
CID 142571981
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-(3-dibenzothiophen-2-ylphenyl)benzo[a]carbazole
CID 142569486
11-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-10-dibenzofuran-2-ylbenzo[a]carbazole;propane
CID 142569985
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-(9,9-dimethylfluoren-3-yl)benzo[a]carbazole
CID 142572212
1-dibenzothiophen-3-yl-9-[4-(9,9-dimethyl-7,8-dihydrofluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 149201832
9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenylcarbazole;ethane
CID 142571417
7-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-8-(9,9-dimethylfluoren-2-yl)benzo[c]carbazole
CID 142570942
21-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-19-(7,7-dimethylbenzo[g]fluoren-9-yl)-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142572138
11-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-10-dibenzothiophen-1-ylbenzo[a]carbazole
CID 142570657
1-(7,7-dimethylbenzo[g]fluoren-9-yl)-6-phenyl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 142569637
11-(4-dibenzofuran-3-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-10-naphtho[2,1-b][1]benzothiol-10-ylbenzo[a]carbazole
CID 142572075

Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole?
The IUPAC name of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole (CID 142568970) is 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole.
What is the SMILES notation for 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole?
The canonical SMILES for 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole is CC1(C)C2=C(CCC=C2)c2ccc(-c3cccc(-c4cccc(-c5cccc6c7ccc8ccccc8c7n(-c7nc(-c8ccccc8)nc(-c8ccc9c%10c(oc9c8)C8CC8C=C%10)n7)c56)c4)c3)cc21.
What is the InChIKey of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole?
The InChIKey is IJWAPXLMVVGKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H46N4O/c1-65(2)56-24-9-8-21-49(56)50-29-26-43(36-57(50)65)41-17-10-16-40(33-41)42-18-11-19-44(34-42)48-22-12-23-52-53-31-25-38-13-6-7-20-47(38)59(53)69(60(48)52)64-67-62(39-14-4-3-5-15-39)66-63(68-64)46-28-30-51-54-32-27-45-35-55(45)61(54)70-58(51)37-46/h3-7,9-20,22-34,36-37,45,55H,8,21,35H2,1-2H3.
What are the key properties of 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole?
10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole has a molecular weight of 899.11 g/mol, XLogP of 16.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(9,9-dimethyl-5,6-dihydrofluoren-2-yl)phenyl]phenyl]-11-[4-(8-oxatetracyclo[7.5.0.02,7.010,12]tetradeca-1(9),2(7),3,5,13-pentaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]benzo[a]carbazole is sourced from PubChem (CID 142568970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).