10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole

C61H47N5 — CID 139570034

IUPAC10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole
SMILESC1=CC2c3ccccc3N(C3C=CC=C4C=C5C(CC43)C3=C(CCC=C3)N5c3cccc4c(-c5nc(-c6ccccc6)nc(C6C=Cc7c(ccc8ccccc78)C6)n5)cccc34)C2C=C1
InChIInChI=1S/C61H47N5/c1-2-16-39(17-3-1)59-62-60(42-33-34-44-41(35-42)32-31-38-15-4-5-19-43(38)44)64-61(63-59)50-25-13-24-46-45(50)23-14-30-56(46)66-55-28-11-8-22-49(55)52-37-51-40(36-58(52)66)18-12-29-57(51)65-53-26-9-6-20-47(53)48-21-7-10-27-54(48)65/h1-10,12-27,29-34,36,42,47,51-53,57H,11,28,35,37H2
InChIKeyOJABQLNQLYCYAZ-UHFFFAOYSA-N
MW850.08 g/mol
LogP13.77
Rot. Bonds5

About 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole

10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole (PubChem CID 139570034) has the molecular formula C61H47N5 and a molecular weight of 850.08 g/mol. Its IUPAC name is 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole.

Molecular Properties

Compound Name10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole
PubChem CID139570034
Molecular FormulaC61H47N5
Molecular Weight850.08 g/mol
Exact Mass849.38
IUPAC Name10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole
SMILESC1=CC2c3ccccc3N(C3C=CC=C4C=C5C(CC43)C3=C(CCC=C3)N5c3cccc4c(-c5nc(-c6ccccc6)nc(C6C=Cc7c(ccc8ccccc78)C6)n5)cccc34)C2C=C1
InChIInChI=1S/C61H47N5/c1-2-16-39(17-3-1)59-62-60(42-33-34-44-41(35-42)32-31-38-15-4-5-19-43(38)44)64-61(63-59)50-25-13-24-46-45(50)23-14-30-56(46)66-55-28-11-8-22-49(55)52-37-51-40(36-58(52)66)18-12-29-57(51)65-53-26-9-6-20-47(53)48-21-7-10-27-54(48)65/h1-10,12-27,29-34,36,42,47,51-53,57H,11,28,35,37H2
InChIKeyOJABQLNQLYCYAZ-UHFFFAOYSA-N
XLogP13.77
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.08
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole with MolForge

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Related Compounds

9-[4-[4-[4-(4a,9a-dihydrocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3,4-dihydrocarbazole
CID 137401527
8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 159103905
9-[2-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-4a,9a-dihydrocarbazole
CID 166918873
2-cyclohexa-2,4-dien-1-yl-4-[3-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)naphthalen-2-yl]-6-phenyl-1,3,5-triazine
CID 166656868
2-(1,2-dihydronaphthalen-2-yl)-4-(8-naphtho[1,2-b][1]benzofuran-7-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167007887
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
CID 166918804
14-[5-(4b-methyl-8aH-carbazol-9-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)cyclohepta-1,3-dien-1-yl]-12,16-dimethyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,9,11,15,17-octaene
CID 139439017
9-[9-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-1-yl]-4a,9a-dihydrocarbazole
CID 166962394
12-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),3,5,7,9,14,16,18,20-nonaene
CID 145156407
5-[3-[2-(3-cyclohexa-1,5-dien-1-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-6,6a,9,10-tetrahydroindolo[3,2-b]carbazole
CID 170137983
2-naphthalen-1-yl-4-phenyl-6-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)-1,3,5-triazine
CID 170722250
9-(4-naphthalen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-3-(9-phenyl-4b,8a-dihydrocarbazol-3-yl)carbazole
CID 138743723

Frequently Asked Questions

What is the IUPAC name of 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole?
The IUPAC name of 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole (CID 139570034) is 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole.
What is the SMILES notation for 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole?
The canonical SMILES for 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole is C1=CC2c3ccccc3N(C3C=CC=C4C=C5C(CC43)C3=C(CCC=C3)N5c3cccc4c(-c5nc(-c6ccccc6)nc(C6C=Cc7c(ccc8ccccc78)C6)n5)cccc34)C2C=C1.
What is the InChIKey of 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole?
The InChIKey is OJABQLNQLYCYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47N5/c1-2-16-39(17-3-1)59-62-60(42-33-34-44-41(35-42)32-31-38-15-4-5-19-43(38)44)64-61(63-59)50-25-13-24-46-45(50)23-14-30-56(46)66-55-28-11-8-22-49(55)52-37-51-40(36-58(52)66)18-12-29-57(51)65-53-26-9-6-20-47(53)48-21-7-10-27-54(48)65/h1-10,12-27,29-34,36,42,47,51-53,57H,11,28,35,37H2.
What are the key properties of 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole?
10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole has a molecular weight of 850.08 g/mol, XLogP of 13.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4a,9a-dihydrocarbazol-9-yl)-5-[5-[4-(1,2-dihydrophenanthren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]naphthalen-1-yl]-3,4,10,10a,11,11a-hexahydrobenzo[b]carbazole is sourced from PubChem (CID 139570034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).