15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]

C54H33N3 — CID 129262803

IUPAC15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
SMILESc1ccc(-c2nc3cccc4c3n2-c2ccccc2C42c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C54H33N3/c1-3-15-35(16-4-1)53-55-48-24-13-23-46-52(48)57(53)50-25-12-11-22-45(50)54(46)44-21-10-9-20-40(44)41-29-27-37(33-47(41)54)36-28-31-49-43(32-36)42-30-26-34-14-7-8-19-39(34)51(42)56(49)38-17-5-2-6-18-38/h1-33H
InChIKeyMGBYGVGSUUBIFB-UHFFFAOYSA-N
MW723.88 g/mol
LogP13.29
Rot. Bonds3

About 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]

15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (PubChem CID 129262803) has the molecular formula C54H33N3 and a molecular weight of 723.88 g/mol. Its IUPAC name is 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].

Molecular Properties

Compound Name15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
PubChem CID129262803
Molecular FormulaC54H33N3
Molecular Weight723.88 g/mol
Exact Mass723.27
IUPAC Name15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
SMILESc1ccc(-c2nc3cccc4c3n2-c2ccccc2C42c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc32)cc1
InChIInChI=1S/C54H33N3/c1-3-15-35(16-4-1)53-55-48-24-13-23-46-52(48)57(53)50-25-12-11-22-45(50)54(46)44-21-10-9-20-40(44)41-29-27-37(33-47(41)54)36-28-31-49-43(32-36)42-30-26-34-14-7-8-19-39(34)51(42)56(49)38-17-5-2-6-18-38/h1-33H
InChIKeyMGBYGVGSUUBIFB-UHFFFAOYSA-N
XLogP13.29
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.88
LogP ≤ 513.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] with MolForge

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Related Compounds

15-phenyl-2'-(9,9'-spirobi[fluorene]-2-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262614
15-phenyl-4'-(9-phenylcarbazol-3-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262721
2'-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-15-phenylspiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]
CID 129262842
5-(2,6-diphenyl-4-pyridinyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 90307244
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
2'-[4-[4-(2-ethylbenzimidazol-1-yl)phenyl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 170942089
3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-naphthalen-1-ylcarbazole;3-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-(4-phenylphenyl)carbazole
CID 158661132
11-phenyl-8-[9-(2-phenylbenzimidazol-1-yl)dibenzofuran-2-yl]benzo[a]carbazole
CID 134594977
2'-[3-(2-phenylquinolin-5-yl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
CID 146494721
2-N',7-N'-diphenyl-2-N',7-N'-bis(11-phenylbenzo[a]carbazol-8-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2',7'-diamine
CID 58510554
2-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 142606984
12,12-dimethyl-2,8-diphenyl-11-[4-(1-phenylbenzimidazol-2-yl)phenyl]indeno[2,1-a]carbazole
CID 90324779

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
The IUPAC name of 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] (CID 129262803) is 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene].
What is the SMILES notation for 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
The canonical SMILES for 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is c1ccc(-c2nc3cccc4c3n2-c2ccccc2C42c3ccccc3-c3ccc(-c4ccc5c(c4)c4ccc6ccccc6c4n5-c4ccccc4)cc32)cc1.
What is the InChIKey of 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
The InChIKey is MGBYGVGSUUBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3/c1-3-15-35(16-4-1)53-55-48-24-13-23-46-52(48)57(53)50-25-12-11-22-45(50)54(46)44-21-10-9-20-40(44)41-29-27-37(33-47(41)54)36-28-31-49-43(32-36)42-30-26-34-14-7-8-19-39(34)51(42)56(49)38-17-5-2-6-18-38/h1-33H.
What are the key properties of 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene]?
15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] has a molecular weight of 723.88 g/mol, XLogP of 13.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-phenyl-2'-(11-phenylbenzo[a]carbazol-8-yl)spiro[1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9(16),10,12,14-heptaene-8,9'-fluorene] is sourced from PubChem (CID 129262803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).