9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole

C74H42N2O2 — CID 59182397

IUPAC9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)c3ccccc3c(-c3ccc4c(c3)Oc3ccc5c6c(ccc-4c36)-c3ccc(-c4c6ccccc6c(-n6c7ccccc7c7ccccc76)c6ccccc46)cc3O5)c2c1
InChIInChI=1S/C74H42N2O2/c1-5-25-57-51(21-1)69(52-22-2-6-26-58(52)73(57)75-61-29-13-9-17-45(61)46-18-10-14-30-62(46)75)43-33-35-49-55-37-38-56-50-36-34-44(42-68(50)78-66-40-39-65(71(55)72(56)66)77-67(49)41-43)70-53-23-3-7-27-59(53)74(60-28-8-4-24-54(60)70)76-63-31-15-11-19-47(63)48-20-12-16-32-64(48)76/h1-42H
InChIKeyPZKKCDXGCUSLMU-UHFFFAOYSA-N
MW991.16 g/mol
LogP20.53
Rot. Bonds4

About 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole

9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole (PubChem CID 59182397) has the molecular formula C74H42N2O2 and a molecular weight of 991.16 g/mol. Its IUPAC name is 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole.

Molecular Properties

Compound Name9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole
PubChem CID59182397
Molecular FormulaC74H42N2O2
Molecular Weight991.16 g/mol
Exact Mass990.32
IUPAC Name9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole
SMILESc1ccc2c(-n3c4ccccc4c4ccccc43)c3ccccc3c(-c3ccc4c(c3)Oc3ccc5c6c(ccc-4c36)-c3ccc(-c4c6ccccc6c(-n6c7ccccc7c7ccccc76)c6ccccc46)cc3O5)c2c1
InChIInChI=1S/C74H42N2O2/c1-5-25-57-51(21-1)69(52-22-2-6-26-58(52)73(57)75-61-29-13-9-17-45(61)46-18-10-14-30-62(46)75)43-33-35-49-55-37-38-56-50-36-34-44(42-68(50)78-66-40-39-65(71(55)72(56)66)77-67(49)41-43)70-53-23-3-7-27-59(53)74(60-28-8-4-24-54(60)70)76-63-31-15-11-19-47(63)48-20-12-16-32-64(48)76/h1-42H
InChIKeyPZKKCDXGCUSLMU-UHFFFAOYSA-N
XLogP20.53
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500991.16
LogP ≤ 520.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole?
The IUPAC name of 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole (CID 59182397) is 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole.
What is the SMILES notation for 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole?
The canonical SMILES for 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole is c1ccc2c(-n3c4ccccc4c4ccccc43)c3ccccc3c(-c3ccc4c(c3)Oc3ccc5c6c(ccc-4c36)-c3ccc(-c4c6ccccc6c(-n6c7ccccc7c7ccccc76)c6ccccc46)cc3O5)c2c1.
What is the InChIKey of 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole?
The InChIKey is PZKKCDXGCUSLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H42N2O2/c1-5-25-57-51(21-1)69(52-22-2-6-26-58(52)73(57)75-61-29-13-9-17-45(61)46-18-10-14-30-62(46)75)43-33-35-49-55-37-38-56-50-36-34-44(42-68(50)78-66-40-39-65(71(55)72(56)66)77-67(49)41-43)70-53-23-3-7-27-59(53)74(60-28-8-4-24-54(60)70)76-63-31-15-11-19-47(63)48-20-12-16-32-64(48)76/h1-42H.
What are the key properties of 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole?
9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole has a molecular weight of 991.16 g/mol, XLogP of 20.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[10-[16-(10-carbazol-9-ylanthracen-9-yl)-8,13-dioxahexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaen-5-yl]anthracen-9-yl]carbazole is sourced from PubChem (CID 59182397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).