5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]

C67H40 — CID 140962677

IUPAC5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(c7ccccc7c5c4)-c4c(ccc5ccccc45)C64c5ccccc5-c5ccccc54)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C67H40/c1-2-18-41(19-3-1)44-37-38-56(47-23-7-6-22-46(44)47)63-54-30-12-10-28-52(54)62(53-29-11-13-31-55(53)63)43-34-36-57-58(40-43)48-24-8-9-27-51(48)65-64-45-21-5-4-20-42(45)35-39-61(64)67(66(57)65)59-32-16-14-25-49(59)50-26-15-17-33-60(50)67/h1-40H
InChIKeyGLQBJWIAOXICGF-UHFFFAOYSA-N
MW845.06 g/mol
LogP17.95
Rot. Bonds3

About 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]

5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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] (PubChem CID 140962677) has the molecular formula C67H40 and a molecular weight of 845.06 g/mol. Its IUPAC name is 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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].

Molecular Properties

Compound Name5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]
PubChem CID140962677
Molecular FormulaC67H40
Molecular Weight845.06 g/mol
Exact Mass844.31
IUPAC Name5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(c7ccccc7c5c4)-c4c(ccc5ccccc45)C64c5ccccc5-c5ccccc54)c4ccccc34)c3ccccc23)cc1
InChIInChI=1S/C67H40/c1-2-18-41(19-3-1)44-37-38-56(47-23-7-6-22-46(44)47)63-54-30-12-10-28-52(54)62(53-29-11-13-31-55(53)63)43-34-36-57-58(40-43)48-24-8-9-27-51(48)65-64-45-21-5-4-20-42(45)35-39-61(64)67(66(57)65)59-32-16-14-25-49(59)50-26-15-17-33-60(50)67/h1-40H
InChIKeyGLQBJWIAOXICGF-UHFFFAOYSA-N
XLogP17.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.06
LogP ≤ 517.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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] with MolForge

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Related Compounds

5'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]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 140962763
5'-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]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 140961770
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
5'-(21-pentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaenyl)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 140962531
22'-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962518
5'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962676
22'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962406
22'-[4-(10-phenylanthracen-9-yl)phenyl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962463
17'-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene];17'-[10-(6-phenylnaphthalen-2-yl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 161366156
5'-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]spiro[fluorene-9,25'-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18,20,22-dodecaene]
CID 140962135
9-(9,9-dimethylfluoren-3-yl)-2-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 59195419
17'-(10-naphthalen-1-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-naphthalen-2-ylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(10-phenylanthracen-9-yl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(2-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(3-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene];17'-(4-pyren-1-ylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14(19),15,17,20-decaene]
CID 159699555

Frequently Asked Questions

What is the IUPAC name of 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]?
The IUPAC name of 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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 140962677) is 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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].
What is the SMILES notation for 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]?
The canonical SMILES for 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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] is c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5c6c(c7ccccc7c5c4)-c4c(ccc5ccccc45)C64c5ccccc5-c5ccccc54)c4ccccc34)c3ccccc23)cc1.
What is the InChIKey of 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]?
The InChIKey is GLQBJWIAOXICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H40/c1-2-18-41(19-3-1)44-37-38-56(47-23-7-6-22-46(44)47)63-54-30-12-10-28-52(54)62(53-29-11-13-31-55(53)63)43-34-36-57-58(40-43)48-24-8-9-27-51(48)65-64-45-21-5-4-20-42(45)35-39-61(64)67(66(57)65)59-32-16-14-25-49(59)50-26-15-17-33-60(50)67/h1-40H.
What are the key properties of 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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]?
5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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] has a molecular weight of 845.06 g/mol, XLogP of 17.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]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] is sourced from PubChem (CID 140962677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).