7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole

C65H53N5 — CID 139569871

IUPAC7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole
SMILESC1=CCC2C=c3c4c(n(C5=CC6=CC=CC(C7NC(C8=CCCC=C8)=NC(C8=CC9C=CC=CC9c9ccccc98)N7)C6C=C5)c3=CC2=C1)CCC(n1c2ccccc2c2c3ccccc3ccc21)=C4
InChIInChI=1S/C65H53N5/c1-2-16-41(17-3-1)63-66-64(68-65(67-63)57-37-45-20-7-8-22-48(45)51-24-10-11-25-52(51)57)53-27-14-21-44-35-46(30-32-49(44)53)70-59-34-31-47(39-56(59)55-36-42-18-4-5-19-43(42)38-61(55)70)69-58-28-13-12-26-54(58)62-50-23-9-6-15-40(50)29-33-60(62)69/h2,4-17,19-30,32-33,35-39,42,45,48-49,53,64-65,68H,1,3,18,31,34H2,(H,66,67)
InChIKeyOHDNDXRTHOIGLW-UHFFFAOYSA-N
MW904.17 g/mol
LogP12.35
Rot. Bonds5

About 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole

7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole (PubChem CID 139569871) has the molecular formula C65H53N5 and a molecular weight of 904.17 g/mol. Its IUPAC name is 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole
PubChem CID139569871
Molecular FormulaC65H53N5
Molecular Weight904.17 g/mol
Exact Mass903.43
IUPAC Name7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole
SMILESC1=CCC2C=c3c4c(n(C5=CC6=CC=CC(C7NC(C8=CCCC=C8)=NC(C8=CC9C=CC=CC9c9ccccc98)N7)C6C=C5)c3=CC2=C1)CCC(n1c2ccccc2c2c3ccccc3ccc21)=C4
InChIInChI=1S/C65H53N5/c1-2-16-41(17-3-1)63-66-64(68-65(67-63)57-37-45-20-7-8-22-48(45)51-24-10-11-25-52(51)57)53-27-14-21-44-35-46(30-32-49(44)53)70-59-34-31-47(39-56(59)55-36-42-18-4-5-19-43(42)38-61(55)70)69-58-28-13-12-26-54(58)62-50-23-9-6-15-40(50)29-33-60(62)69/h2,4-17,19-30,32-33,35-39,42,45,48-49,53,64-65,68H,1,3,18,31,34H2,(H,66,67)
InChIKeyOHDNDXRTHOIGLW-UHFFFAOYSA-N
XLogP12.35
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 512.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole with MolForge

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Related Compounds

2-(6b,9,10,10a-tetrahydrobenzo[a]carbazol-11-yl)-5-[3-(4-cyclohexa-1,3-dien-1-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)phenyl]-3,4,10,10a-tetrahydrobenzo[b]carbazole
CID 139569686
5-[4-[2-(1,2,4b,8a-tetrahydrophenanthren-2-yl)-4-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl]phenyl]-3-(9H-fluoren-9-ylmethyl)-3,4-dihydrobenzo[b]carbazole
CID 139570051
5-[2-[2-(4b,8a-dihydrophenanthren-9-yl)-6-cyclohexa-2,4-dien-1-yl-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-9-(3,4-dihydrocarbazol-9-yl)-10,10a-dihydrobenzo[b]carbazole
CID 139570044
3-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,5-dien-1-yl)-6-(4-cyclohexa-1,5-dien-1-ylphenyl)-1,3,5-triazinan-1-ium-2-yl]-4-(5-naphthalen-1-yl-10,11-dihydroindolo[3,2-c]carbazol-12-yl)cyclohexa-2,4-dien-1-amine
CID 163786140
2-benzo[c]carbazol-7-yl-5-[9-[cyclohexa-1,3-dien-1-yl(cyclohexa-1,5-dien-1-yl)amino]-3,4,7a,12a-tetrahydro-[1]benzofuro[3,2-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 155237395
3-(10,10a-dihydrobenzo[b]carbazol-5-yl)-2-(6-methyl-5,5a,6,7-tetrahydrocyclohepta[b]indol-9-yl)-[1]benzofuro[2,3-b]pyrazine
CID 166945431
4-[9-(3-cyclohexa-1,5-dien-1-ylcyclohexa-1,3-dien-1-yl)carbazol-4-yl]-9-(3,4,7,8-tetrahydronaphthalen-2-yl)carbazole
CID 169037361
9-[2-[2-cyclohexa-1,5-dien-1-yl-6-[2-(1,2,7,8-tetrahydrocarbazol-9-yl)cyclohexa-2,4-dien-1-yl]-1,4-dihydro-1,3,5-triazin-4-yl]cyclohexa-1,3-dien-1-yl]carbazole
CID 175623925
12-[4-(3-cyclohexa-1,5-dien-1-ylquinoxalin-2-yl)-1,8a-dihydronaphthalen-2-yl]-16,16,19,19-tetramethyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15(20)-octaene
CID 170018275
9-(2,4-diphenyl-2,3-dihydropyridin-6-yl)-3-[9-[5-[2-[3-[2-phenyl-4-[3-[9-(4-phenylcyclohexa-1,3-dien-1-yl)-1,2,7,8-tetrahydrocarbazol-2-yl]carbazol-9-yl]-1,2,3,6-tetrahydropyridin-6-yl]phenyl]cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 138613957
9-(4a,11b-dihydrobenzo[b]carbazol-5-yl)-5-[3-(2-cyclohexa-2,4-dien-1-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,4-dihydrobenzo[b]carbazole
CID 139569825
3-cyclohexa-1,5-dien-1-yl-5-(6-cyclohexa-2,4-dien-1-yl-9-phenylcarbazol-4-yl)-9-phenylcarbazole
CID 170002276

Frequently Asked Questions

What is the IUPAC name of 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole (CID 139569871) is 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole is C1=CCC2C=c3c4c(n(C5=CC6=CC=CC(C7NC(C8=CCCC=C8)=NC(C8=CC9C=CC=CC9c9ccccc98)N7)C6C=C5)c3=CC2=C1)CCC(n1c2ccccc2c2c3ccccc3ccc21)=C4.
What is the InChIKey of 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole?
The InChIKey is OHDNDXRTHOIGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N5/c1-2-16-41(17-3-1)63-66-64(68-65(67-63)57-37-45-20-7-8-22-48(45)51-24-10-11-25-52(51)57)53-27-14-21-44-35-46(30-32-49(44)53)70-59-34-31-47(39-56(59)55-36-42-18-4-5-19-43(42)38-61(55)70)69-58-28-13-12-26-54(58)62-50-23-9-6-15-40(50)29-33-60(62)69/h2,4-17,19-30,32-33,35-39,42,45,48-49,53,64-65,68H,1,3,18,31,34H2,(H,66,67).
What are the key properties of 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole?
7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole has a molecular weight of 904.17 g/mol, XLogP of 12.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[5-[4-(4a,10a-dihydrophenanthren-9-yl)-6-cyclohexa-1,5-dien-1-yl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl]-4a,5-dihydronaphthalen-2-yl]-3,4,10,10a-tetrahydrobenzo[b]carbazol-2-yl]benzo[c]carbazole is sourced from PubChem (CID 139569871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).