6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]

C71H42 — CID 153437207

IUPAC6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5ccccc5c(-c5cc6cccc7c8c(c9cccc5c9c67)C5(c6ccccc6-c6ccccc65)c5ccccc5-8)cc4c4ccccc34)c2)cc1
InChIInChI=1S/C71H42/c1-3-19-43(20-4-1)46-37-47(44-21-5-2-6-22-44)39-48(38-46)59-41-61-51-26-9-10-27-52(51)62(42-63(61)50-25-8-7-24-49(50)59)60-40-45-23-17-32-57-67(45)68-55(60)31-18-33-58(68)70-69(57)56-30-13-16-36-66(56)71(70)64-34-14-11-28-53(64)54-29-12-15-35-65(54)71/h1-42H
InChIKeyBEKUHWRCCPBTED-UHFFFAOYSA-N
MW895.12 g/mol
LogP19.06
Rot. Bonds4

About 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]

6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene] (PubChem CID 153437207) has the molecular formula C71H42 and a molecular weight of 895.12 g/mol. Its IUPAC name is 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene].

Molecular Properties

Compound Name6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]
PubChem CID153437207
Molecular FormulaC71H42
Molecular Weight895.12 g/mol
Exact Mass894.33
IUPAC Name6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5ccccc5c(-c5cc6cccc7c8c(c9cccc5c9c67)C5(c6ccccc6-c6ccccc65)c5ccccc5-8)cc4c4ccccc34)c2)cc1
InChIInChI=1S/C71H42/c1-3-19-43(20-4-1)46-37-47(44-21-5-2-6-22-44)39-48(38-46)59-41-61-51-26-9-10-27-52(51)62(42-63(61)50-25-8-7-24-49(50)59)60-40-45-23-17-32-57-67(45)68-55(60)31-18-33-58(68)70-69(57)56-30-13-16-36-66(56)71(70)64-34-14-11-28-53(64)54-29-12-15-35-65(54)71/h1-42H
InChIKeyBEKUHWRCCPBTED-UHFFFAOYSA-N
XLogP19.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.12
LogP ≤ 519.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene] with MolForge

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Related Compounds

2-(3,5-diphenylphenyl)-4-phenyl-6-(4-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)-1,3,5-triazine
CID 165152132
4'-[3,5-bis[4-(3,5-diphenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 166563560
2-phenyl-6-(3-phenylphenyl)-4-(3-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylphenyl)pyridine
CID 165152302
4-(3,5-diphenylphenyl)-2-phenyl-6-spiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene]-2-ylpyridine
CID 155186253
2-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene];2-(3,5-diphenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene];2-naphthalen-1-ylspiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene];2-(3-phenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene];2-(3-phenylphenyl)spiro[fluorene-9,9'-hexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3,5,7,11,13,15,17,19,21-undecaene]
CID 158693788
4,6-bis(3-phenylphenyl)-2-spiro[benzo[a]fluorene-11,9'-fluorene]-6-ylpyrimidine
CID 165152179
2-phenyl-4-(3-phenylphenyl)-6-spiro[benzo[a]fluorene-11,9'-fluorene]-6-yl-1,3,5-triazine
CID 165151929
20'-(2-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];20'-(3-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene];20'-(4-pyren-1-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 158430376
6'-[3-(3,5-diphenylphenyl)phenyl]spiro[fluorene-9,11'-indeno[1,2-c]quinoline]
CID 166898643
19'-(3,5-diphenylphenyl)spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaene]
CID 158550157
4-[3-[3,5-di(pyren-4-yl)phenyl]-5-pyren-4-ylphenyl]pyrene
CID 140757115
5'-(3-phenanthren-9-ylphenyl)spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962241

Frequently Asked Questions

What is the IUPAC name of 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]?
The IUPAC name of 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene] (CID 153437207) is 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene].
What is the SMILES notation for 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]?
The canonical SMILES for 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene] is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc4c5ccccc5c(-c5cc6cccc7c8c(c9cccc5c9c67)C5(c6ccccc6-c6ccccc65)c5ccccc5-8)cc4c4ccccc34)c2)cc1.
What is the InChIKey of 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]?
The InChIKey is BEKUHWRCCPBTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H42/c1-3-19-43(20-4-1)46-37-47(44-21-5-2-6-22-44)39-48(38-46)59-41-61-51-26-9-10-27-52(51)62(42-63(61)50-25-8-7-24-49(50)59)60-40-45-23-17-32-57-67(45)68-55(60)31-18-33-58(68)70-69(57)56-30-13-16-36-66(56)71(70)64-34-14-11-28-53(64)54-29-12-15-35-65(54)71/h1-42H.
What are the key properties of 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene]?
6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene] has a molecular weight of 895.12 g/mol, XLogP of 19.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[12-(3,5-diphenylphenyl)chrysen-6-yl]spiro[fluorene-9,20'-hexacyclo[10.9.2.05,22.08,23.013,21.014,19]tricosa-1,3,5,7,9,11,13(21),14,16,18,22-undecaene] is sourced from PubChem (CID 153437207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).