11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

C60H35N3O2 — CID 164795552

IUPAC11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)ccc3c4ccccc4n-2c13
InChIInChI=1S/C60H35N3O2/c1-7-17-52-42(11-1)47-30-29-41(60-59(47)63(52)55-18-8-10-20-57(55)65-60)36-21-25-39(26-22-36)61-50-15-5-2-12-43(50)48-33-37(23-31-53(48)61)38-24-32-54-49(34-38)44-13-3-6-16-51(44)62(54)40-27-28-46-45-14-4-9-19-56(45)64-58(46)35-40/h1-35H
InChIKeyWSDNOIVMJJHRJL-UHFFFAOYSA-N
MW829.96 g/mol
LogP16.32
Rot. Bonds4

About 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene

11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (PubChem CID 164795552) has the molecular formula C60H35N3O2 and a molecular weight of 829.96 g/mol. Its IUPAC name is 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.

Molecular Properties

Compound Name11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
PubChem CID164795552
Molecular FormulaC60H35N3O2
Molecular Weight829.96 g/mol
Exact Mass829.27
IUPAC Name11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
SMILESc1ccc2c(c1)Oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)ccc3c4ccccc4n-2c13
InChIInChI=1S/C60H35N3O2/c1-7-17-52-42(11-1)47-30-29-41(60-59(47)63(52)55-18-8-10-20-57(55)65-60)36-21-25-39(26-22-36)61-50-15-5-2-12-43(50)48-33-37(23-31-53(48)61)38-24-32-54-49(34-38)44-13-3-6-16-51(44)62(54)40-27-28-46-45-14-4-9-19-56(45)64-58(46)35-40/h1-35H
InChIKeyWSDNOIVMJJHRJL-UHFFFAOYSA-N
XLogP16.32
TPSA37.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 516.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene with MolForge

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Related Compounds

3-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795543
11-[4-(3-carbazol-9-ylphenyl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795576
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-(9-dibenzofuran-3-ylcarbazol-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 122594946
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3-[9-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-7-yl)carbazol-3-yl]-9-phenylcarbazole
CID 142497222
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-5-phenyl-9-(2-phenylphenyl)carbazole
CID 170072822
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435

Frequently Asked Questions

What is the IUPAC name of 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The IUPAC name of 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene (CID 164795552) is 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene.
What is the SMILES notation for 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The canonical SMILES for 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is c1ccc2c(c1)Oc1c(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)oc6ccccc67)ccc54)cc3)ccc3c4ccccc4n-2c13.
What is the InChIKey of 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
The InChIKey is WSDNOIVMJJHRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3O2/c1-7-17-52-42(11-1)47-30-29-41(60-59(47)63(52)55-18-8-10-20-57(55)65-60)36-21-25-39(26-22-36)61-50-15-5-2-12-43(50)48-33-37(23-31-53(48)61)38-24-32-54-49(34-38)44-13-3-6-16-51(44)62(54)40-27-28-46-45-14-4-9-19-56(45)64-58(46)35-40/h1-35H.
What are the key properties of 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene?
11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene has a molecular weight of 829.96 g/mol, XLogP of 16.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[3-(9-dibenzofuran-3-ylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene is sourced from PubChem (CID 164795552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).