5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole

C65H53N5 — CID 139569933

IUPAC5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole
SMILESC1=CCC2C(=C1)C=C1C(=C2N2C3C=CC=CC3C3C=c4ccccc4=CC32)C2C=CCCC2N1c1ccc2ccc(C3N=C(C4=Cc5c(ccc6ccccc56)CC4)NC(c4ccccc4)=N3)cc2c1
InChIInChI=1S/C65H53N5/c1-2-15-43(16-3-1)63-66-64(68-65(67-63)48-31-29-42-28-27-41-14-6-8-20-51(41)55(42)37-48)47-30-26-40-32-33-50(35-49(40)34-47)69-58-25-13-11-23-54(58)61-60(69)39-46-19-7-9-21-52(46)62(61)70-57-24-12-10-22-53(57)56-36-44-17-4-5-18-45(44)38-59(56)70/h1-12,14-20,22-24,26-28,30,32-39,52-54,56-59,64H,13,21,25,29,31H2,(H,66,67,68)
InChIKeySYEJCWJFSRVTTJ-UHFFFAOYSA-N
MW904.17 g/mol
LogP11.96
Rot. Bonds5

About 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole

5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole (PubChem CID 139569933) has the molecular formula C65H53N5 and a molecular weight of 904.17 g/mol. Its IUPAC name is 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole.

Molecular Properties

Compound Name5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole
PubChem CID139569933
Molecular FormulaC65H53N5
Molecular Weight904.17 g/mol
Exact Mass903.43
IUPAC Name5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole
SMILESC1=CCC2C(=C1)C=C1C(=C2N2C3C=CC=CC3C3C=c4ccccc4=CC32)C2C=CCCC2N1c1ccc2ccc(C3N=C(C4=Cc5c(ccc6ccccc56)CC4)NC(c4ccccc4)=N3)cc2c1
InChIInChI=1S/C65H53N5/c1-2-15-43(16-3-1)63-66-64(68-65(67-63)48-31-29-42-28-27-41-14-6-8-20-51(41)55(42)37-48)47-30-26-40-32-33-50(35-49(40)34-47)69-58-25-13-11-23-54(58)61-60(69)39-46-19-7-9-21-52(46)62(61)70-57-24-12-10-22-53(57)56-36-44-17-4-5-18-45(44)38-59(56)70/h1-12,14-20,22-24,26-28,30,32-39,52-54,56-59,64H,13,21,25,29,31H2,(H,66,67,68)
InChIKeySYEJCWJFSRVTTJ-UHFFFAOYSA-N
XLogP11.96
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.17
LogP ≤ 511.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]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
12-[4-[4-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 166915678
9-(4-cyclohexa-2,4-dien-1-ylphenyl)-1-[9-(3-cyclohexa-1,3-dien-1-ylphenyl)-1,2,4a,4b,7,8,8a,9a-octahydrocarbazol-3-yl]-4a,4b,8a,9a-tetrahydrocarbazole
CID 134390631
11-(1,2,3,4,5,6,6a,7a,8,9,11a,11b-dodecahydrobenzo[c]carbazol-7-yl)-5-[4-[6-(4-cyclohexa-1,3-dien-1-ylphenyl)-4-(4-cyclohex-2-en-1-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]-3,4-dihydrobenzo[b]carbazole
CID 153251742
7-(4,4a-dihydrodibenzothiophen-4-yl)-9-[4-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-2-yl)-2-phenylcyclohexa-1,3-dien-1-yl]-1,2-dihydrocarbazole
CID 163648304
3-dibenzothiophen-4-yl-9-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-1,2-dihydrocarbazole
CID 144821309
2-cyclohexa-1,3-dien-1-yl-4-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-phenanthren-2-yl-1,4-dihydropyrimidine
CID 170091618
2-chloro-6-(3,4-dihydronaphthalen-2-yl)-4-naphthalen-2-yl-1,4-dihydro-1,3,5-triazine
CID 163636281
4-phenanthren-2-yl-2-phenyl-6-(3-phenyldibenzofuran-1-yl)-1,4-dihydro-1,3,5-triazine
CID 170289982
9-[3-(2-cyclohexa-1,3-dien-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-6-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),4,6,11,15,17,19-octaene
CID 144964110
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
3,6-ditert-butyl-9-[2-[2-[2-(3,6-ditert-butylcarbazol-9-yl)-3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]-6-(2-methylcyclohexa-2,4-dien-1-yl)phenyl]carbazole
CID 166751428

Frequently Asked Questions

What is the IUPAC name of 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole?
The IUPAC name of 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole (CID 139569933) is 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole.
What is the SMILES notation for 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole?
The canonical SMILES for 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole is C1=CCC2C(=C1)C=C1C(=C2N2C3C=CC=CC3C3C=c4ccccc4=CC32)C2C=CCCC2N1c1ccc2ccc(C3N=C(C4=Cc5c(ccc6ccccc56)CC4)NC(c4ccccc4)=N3)cc2c1.
What is the InChIKey of 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole?
The InChIKey is SYEJCWJFSRVTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H53N5/c1-2-15-43(16-3-1)63-66-64(68-65(67-63)48-31-29-42-28-27-41-14-6-8-20-51(41)55(42)37-48)47-30-26-40-32-33-50(35-49(40)34-47)69-58-25-13-11-23-54(58)61-60(69)39-46-19-7-9-21-52(46)62(61)70-57-24-12-10-22-53(57)56-36-44-17-4-5-18-45(44)38-59(56)70/h1-12,14-20,22-24,26-28,30,32-39,52-54,56-59,64H,13,21,25,29,31H2,(H,66,67,68).
What are the key properties of 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole?
5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole has a molecular weight of 904.17 g/mol, XLogP of 11.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[7-[2-(1,2-dihydrophenanthren-3-yl)-6-phenyl-1,4-dihydro-1,3,5-triazin-4-yl]naphthalen-2-yl]-3,4,4a,10,10a,11b-hexahydrobenzo[b]carbazol-11-yl]-4a,5a,11a,11b-tetrahydrobenzo[b]carbazole is sourced from PubChem (CID 139569933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).