9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole

C48H31NO2 — CID 118700580

IUPAC9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole
SMILESc1ccc(-c2cccc3c2-c2ccccc2Oc2ccccc2-c2cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c2O3)cc1
InChIInChI=1S/C48H31NO2/c1-3-16-32(17-4-1)34-23-15-31-45-47(34)40-22-9-12-30-44(40)50-43-29-11-8-20-35(43)37-25-13-26-38(48(37)51-45)36-24-14-28-42-46(36)39-21-7-10-27-41(39)49(42)33-18-5-2-6-19-33/h1-31H
InChIKeyCQUHKZCOUYVYAP-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.35
Rot. Bonds3

About 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole

9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole (PubChem CID 118700580) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole.

Molecular Properties

Compound Name9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole
PubChem CID118700580
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole
SMILESc1ccc(-c2cccc3c2-c2ccccc2Oc2ccccc2-c2cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c2O3)cc1
InChIInChI=1S/C48H31NO2/c1-3-16-32(17-4-1)34-23-15-31-45-47(34)40-22-9-12-30-44(40)50-43-29-11-8-20-35(43)37-25-13-26-38(48(37)51-45)36-24-14-28-42-46(36)39-21-7-10-27-41(39)49(42)33-18-5-2-6-19-33/h1-31H
InChIKeyCQUHKZCOUYVYAP-UHFFFAOYSA-N
XLogP13.35
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500653.78
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole with MolForge

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Related Compounds

9-phenyl-2-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-4-yl)carbazole
CID 118700613
9-phenyl-4-(1-phenyl-9,9'-spirobi[xanthene]-1'-yl)carbazole
CID 118698167
9-phenyl-4-(3-phenyl-9,9'-spirobi[xanthene]-4'-yl)carbazole
CID 118698170
9-phenyl-3-(11-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-6-yl)carbazole
CID 118700467
4-(24-dibenzothiophen-1-yl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(22),2(7),3,5,9,11,13,15,17,19,23,25-dodecaen-5-yl)-9-phenylcarbazole
CID 118860881
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
4-[2-(3-chlorophenyl)phenyl]-9-phenylcarbazole
CID 176719063
4-(3-methyl-2-phenylphenyl)-9-phenylcarbazole
CID 146397332
3-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170044731
3,9-diphenyl-4-(9-phenylcarbazol-1-yl)carbazole
CID 90321729
3-[3-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 170043910
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-14-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 121357402

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole?
The IUPAC name of 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole (CID 118700580) is 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole.
What is the SMILES notation for 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole?
The canonical SMILES for 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole is c1ccc(-c2cccc3c2-c2ccccc2Oc2ccccc2-c2cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c2O3)cc1.
What is the InChIKey of 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole?
The InChIKey is CQUHKZCOUYVYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-16-32(17-4-1)34-23-15-31-45-47(34)40-22-9-12-30-44(40)50-43-29-11-8-20-35(43)37-25-13-26-38(48(37)51-45)36-24-14-28-42-46(36)39-21-7-10-27-41(39)49(42)33-18-5-2-6-19-33/h1-31H.
What are the key properties of 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole?
9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole has a molecular weight of 653.78 g/mol, XLogP of 13.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-(13-phenyl-8,21-dioxapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaen-6-yl)carbazole is sourced from PubChem (CID 118700580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).