9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole

C54H32N2O2 — CID 59147591

IUPAC9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
SMILESc1ccc(-c2c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c3c(-c3ccccc3)c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c23)cc1
InChIInChI=1S/C54H32N2O2/c1-3-17-33(18-4-1)47-49-39-25-15-31-45(55-41-27-11-7-21-35(41)36-22-8-12-28-42(36)55)51(39)58-54(49)48(34-19-5-2-6-20-34)50-40-26-16-32-46(52(40)57-53(47)50)56-43-29-13-9-23-37(43)38-24-10-14-30-44(38)56/h1-32H
InChIKeyTVVLBUUBSBMQKJ-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole

9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole (PubChem CID 59147591) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole.

Molecular Properties

Compound Name9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
PubChem CID59147591
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole
SMILESc1ccc(-c2c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c3c(-c3ccccc3)c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c23)cc1
InChIInChI=1S/C54H32N2O2/c1-3-17-33(18-4-1)47-49-39-25-15-31-45(55-41-27-11-7-21-35(41)36-22-8-12-28-42(36)55)51(39)58-54(49)48(34-19-5-2-6-20-34)50-40-26-16-32-46(52(40)57-53(47)50)56-43-29-13-9-23-37(43)38-24-10-14-30-44(38)56/h1-32H
InChIKeyTVVLBUUBSBMQKJ-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole with MolForge

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Related Compounds

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CID 177209663
CID 177209663
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CID 156803722
(6-carbazol-9-yldibenzofuran-4-yl)-trimethyl-λ4-sulfane
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9-[2-phenyl-3-(3-phenyl-2-benzofuran-1-yl)phenyl]carbazole
CID 156552968
9-(9-dibenzofuran-1-yl-6-phenyldibenzofuran-4-yl)-2-phenylcarbazole
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9-[2-phenyl-3-[3-(2-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
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4-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-(6-phenyldibenzofuran-4-yl)carbazole
CID 139556525
9-(9-dibenzofuran-2-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 153223652
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Frequently Asked Questions

What is the IUPAC name of 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole?
The IUPAC name of 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole (CID 59147591) is 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole.
What is the SMILES notation for 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole?
The canonical SMILES for 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole is c1ccc(-c2c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c3c(-c3ccccc3)c3oc4c(-n5c6ccccc6c6ccccc65)cccc4c23)cc1.
What is the InChIKey of 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole?
The InChIKey is TVVLBUUBSBMQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-17-33(18-4-1)47-49-39-25-15-31-45(55-41-27-11-7-21-35(41)36-22-8-12-28-42(36)55)51(39)58-54(49)48(34-19-5-2-6-20-34)50-40-26-16-32-46(52(40)57-53(47)50)56-43-29-13-9-23-37(43)38-24-10-14-30-44(38)56/h1-32H.
What are the key properties of 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole?
9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(18-carbazol-9-yl-2,12-diphenyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaen-8-yl)carbazole is sourced from PubChem (CID 59147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).