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

C48H31NO2 — CID 118700613

IUPAC9-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
SMILESc1ccc(-c2cccc3c2-c2ccccc2Oc2ccccc2-c2cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc2O3)cc1
InChIInChI=1S/C48H31NO2/c1-3-14-32(15-4-1)36-21-13-25-47-48(36)40-20-9-12-24-45(40)50-44-23-11-8-19-39(44)41-30-33(27-29-46(41)51-47)34-26-28-38-37-18-7-10-22-42(37)49(43(38)31-34)35-16-5-2-6-17-35/h1-31H
InChIKeyARDJPORISLETMY-UHFFFAOYSA-N
MW653.78 g/mol
LogP13.35
Rot. Bonds3

About 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

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 (PubChem CID 118700613) has the molecular formula C48H31NO2 and a molecular weight of 653.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID118700613
Molecular FormulaC48H31NO2
Molecular Weight653.78 g/mol
Exact Mass653.24
IUPAC Name9-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
SMILESc1ccc(-c2cccc3c2-c2ccccc2Oc2ccccc2-c2cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc2O3)cc1
InChIInChI=1S/C48H31NO2/c1-3-14-32(15-4-1)36-21-13-25-47-48(36)40-20-9-12-24-45(40)50-44-23-11-8-19-39(44)41-30-33(27-29-46(41)51-47)34-26-28-38-37-18-7-10-22-42(37)49(43(38)31-34)35-16-5-2-6-17-35/h1-31H
InChIKeyARDJPORISLETMY-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-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 with MolForge

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Related Compounds

3,12-diphenyl-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-dodecaene
CID 118860586
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
N-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 118532761
21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene
CID 167138237
21-phenyl-18-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448253
7-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041070
10-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)phenyl]-5-phenylbenzo[b]carbazole
CID 170041000
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]-5-phenylbenzo[b]carbazole
CID 170041254
9-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-4-yl)-5-phenylbenzo[b]carbazole
CID 170037476
3-[18-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-10-yl]-9-phenylcarbazole
CID 122629660
2-[2-(9-phenylcarbazol-2-yl)phenyl]-9-(3-phenylphenyl)carbazole
CID 162495147
2-[9-(3-phenylphenyl)carbazol-2-yl]-9-[3-(2-phenylphenyl)phenyl]carbazole
CID 165386034

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc3c2-c2ccccc2Oc2ccccc2-c2cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc2O3)cc1.
What is the InChIKey of 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?
The InChIKey is ARDJPORISLETMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31NO2/c1-3-14-32(15-4-1)36-21-13-25-47-48(36)40-20-9-12-24-45(40)50-44-23-11-8-19-39(44)41-30-33(27-29-46(41)51-47)34-26-28-38-37-18-7-10-22-42(37)49(43(38)31-34)35-16-5-2-6-17-35/h1-31H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 118700613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).