3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole

C48H29NO2 — CID 59147259

IUPAC3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
SMILESc1ccc(-c2ccc3oc4ccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc6c5c4c3c2)cc1
InChIInChI=1S/C48H29NO2/c1-4-10-30(11-5-1)33-16-20-41-37(26-33)38-27-34(31-12-6-2-7-13-31)17-21-42(38)49(41)36-19-23-44-40(29-36)48-46(51-44)25-24-45-47(48)39-28-35(18-22-43(39)50-45)32-14-8-3-9-15-32/h1-29H
InChIKeyPGDGQTDOUCJWFH-UHFFFAOYSA-N
MW651.77 g/mol
LogP13.58
Rot. Bonds4

About 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole

3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole (PubChem CID 59147259) has the molecular formula C48H29NO2 and a molecular weight of 651.77 g/mol. Its IUPAC name is 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
PubChem CID59147259
Molecular FormulaC48H29NO2
Molecular Weight651.77 g/mol
Exact Mass651.22
IUPAC Name3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole
SMILESc1ccc(-c2ccc3oc4ccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc6c5c4c3c2)cc1
InChIInChI=1S/C48H29NO2/c1-4-10-30(11-5-1)33-16-20-41-37(26-33)38-27-34(31-12-6-2-7-13-31)17-21-42(38)49(41)36-19-23-44-40(29-36)48-46(51-44)25-24-45-47(48)39-28-35(18-22-43(39)50-45)32-14-8-3-9-15-32/h1-29H
InChIKeyPGDGQTDOUCJWFH-UHFFFAOYSA-N
XLogP13.58
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.77
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole with MolForge

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Related Compounds

3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-phenyl-9-(7-phenyldibenzofuran-2-yl)carbazole
CID 170286211
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-(3,5-diphenylphenyl)carbazole;ethane
CID 144605145

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
The IUPAC name of 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole (CID 59147259) is 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole.
What is the SMILES notation for 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
The canonical SMILES for 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole is c1ccc(-c2ccc3oc4ccc5oc6ccc(-n7c8ccc(-c9ccccc9)cc8c8cc(-c9ccccc9)ccc87)cc6c5c4c3c2)cc1.
What is the InChIKey of 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
The InChIKey is PGDGQTDOUCJWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NO2/c1-4-10-30(11-5-1)33-16-20-41-37(26-33)38-27-34(31-12-6-2-7-13-31)17-21-42(38)49(41)36-19-23-44-40(29-36)48-46(51-44)25-24-45-47(48)39-28-35(18-22-43(39)50-45)32-14-8-3-9-15-32/h1-29H.
What are the key properties of 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole?
3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole has a molecular weight of 651.77 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-(18-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)carbazole is sourced from PubChem (CID 59147259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).