3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole

C54H36N4 — CID 155372433

IUPAC3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole
SMILESc1ccc(C2N=C(c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C43c4cccc5ccc6cccc3c6c45)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C54H36N4/c1-3-14-35(15-4-1)51-55-52(36-16-5-2-6-17-36)57-53(56-51)37-30-31-46-40(32-37)38-20-8-10-26-45(38)58(46)47-27-13-25-44-50(47)39-21-7-9-22-41(39)54(44)42-23-11-18-33-28-29-34-19-12-24-43(54)49(34)48(33)42/h1-32,51-52,55H,(H,56,57)
InChIKeyWKIDOIMGJIQWTL-UHFFFAOYSA-N
MW740.91 g/mol
LogP12.10
Rot. Bonds4

About 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole

3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole (PubChem CID 155372433) has the molecular formula C54H36N4 and a molecular weight of 740.91 g/mol. Its IUPAC name is 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole.

Molecular Properties

Compound Name3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole
PubChem CID155372433
Molecular FormulaC54H36N4
Molecular Weight740.91 g/mol
Exact Mass740.29
IUPAC Name3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole
SMILESc1ccc(C2N=C(c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C43c4cccc5ccc6cccc3c6c45)NC(c3ccccc3)N2)cc1
InChIInChI=1S/C54H36N4/c1-3-14-35(15-4-1)51-55-52(36-16-5-2-6-17-36)57-53(56-51)37-30-31-46-40(32-37)38-20-8-10-26-45(38)58(46)47-27-13-25-44-50(47)39-21-7-9-22-41(39)54(44)42-23-11-18-33-28-29-34-19-12-24-43(54)49(34)48(33)42/h1-32,51-52,55H,(H,56,57)
InChIKeyWKIDOIMGJIQWTL-UHFFFAOYSA-N
XLogP12.10
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.91
LogP ≤ 512.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole with MolForge

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Related Compounds

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CID 142504521
3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
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12-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
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9-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 129156452
9-[3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 145085338
23-[4-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)phenyl]-23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaene
CID 155772863
CID 158608032
CID 158608032
3-[9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 90132067
9-[3-(2,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-4-yl)phenyl]-14,14-dimethyl-5-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 144956940
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099536
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
9-[9-[1-[3-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]dibenzofuran-4-yl]-3-phenylcarbazole
CID 166744433

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole?
The IUPAC name of 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole (CID 155372433) is 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole.
What is the SMILES notation for 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole?
The canonical SMILES for 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole is c1ccc(C2N=C(c3ccc4c(c3)c3ccccc3n4-c3cccc4c3-c3ccccc3C43c4cccc5ccc6cccc3c6c45)NC(c3ccccc3)N2)cc1.
What is the InChIKey of 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole?
The InChIKey is WKIDOIMGJIQWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4/c1-3-14-35(15-4-1)51-55-52(36-16-5-2-6-17-36)57-53(56-51)37-30-31-46-40(32-37)38-20-8-10-26-45(38)58(46)47-27-13-25-44-50(47)39-21-7-9-22-41(39)54(44)42-23-11-18-33-28-29-34-19-12-24-43(54)49(34)48(33)42/h1-32,51-52,55H,(H,56,57).
What are the key properties of 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole?
3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole has a molecular weight of 740.91 g/mol, XLogP of 12.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylcarbazole is sourced from PubChem (CID 155372433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).