5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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

C96H54N6O3 — CID 146892103

IUPAC5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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
SMILESc1ccc(-n2c3ccc(-c4cnc5oc6nccc(-n7c8ccccc8c8ccccc87)c6c5c4)cc3c3c4ccc(-c5cccc6c5ccc5c6c6cc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10cccc%12c%10n%11-c%10ccccc%10O%12)cc9c78)ccc6n5-c5ccccc5)cc4ccc32)cc1
InChIInChI=1S/C96H54N6O3/c1-3-16-62(17-4-1)99-80-41-34-57(61-53-76-93-85(46-47-97-96(93)105-95(76)98-54-61)101-77-26-9-7-20-68(77)69-21-8-10-27-78(69)101)50-73(80)90-66-38-32-58(48-59(66)36-43-83(90)99)64-22-13-24-70-67(64)39-44-84-91(70)74-52-60(35-42-81(74)100(84)63-18-5-2-6-19-63)65-23-14-30-88-92(65)75-51-56(37-45-86(75)103-88)55-33-40-79-72(49-55)71-25-15-31-89-94(71)102(79)82-28-11-12-29-87(82)104-89/h1-54H
InChIKeyTUELUPSRFSFMNX-UHFFFAOYSA-N
MW1339.53 g/mol
LogP25.74
Rot. Bonds7

About 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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

5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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 (PubChem CID 146892103) has the molecular formula C96H54N6O3 and a molecular weight of 1339.53 g/mol. Its IUPAC name is 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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.

Molecular Properties

Compound Name5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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
PubChem CID146892103
Molecular FormulaC96H54N6O3
Molecular Weight1339.53 g/mol
Exact Mass1338.43
IUPAC Name5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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
SMILESc1ccc(-n2c3ccc(-c4cnc5oc6nccc(-n7c8ccccc8c8ccccc87)c6c5c4)cc3c3c4ccc(-c5cccc6c5ccc5c6c6cc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10cccc%12c%10n%11-c%10ccccc%10O%12)cc9c78)ccc6n5-c5ccccc5)cc4ccc32)cc1
InChIInChI=1S/C96H54N6O3/c1-3-16-62(17-4-1)99-80-41-34-57(61-53-76-93-85(46-47-97-96(93)105-95(76)98-54-61)101-77-26-9-7-20-68(77)69-21-8-10-27-78(69)101)50-73(80)90-66-38-32-58(48-59(66)36-43-83(90)99)64-22-13-24-70-67(64)39-44-84-91(70)74-52-60(35-42-81(74)100(84)63-18-5-2-6-19-63)65-23-14-30-88-92(65)75-51-56(37-45-86(75)103-88)55-33-40-79-72(49-55)71-25-15-31-89-94(71)102(79)82-28-11-12-29-87(82)104-89/h1-54H
InChIKeyTUELUPSRFSFMNX-UHFFFAOYSA-N
XLogP25.74
TPSA81.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001339.53
LogP ≤ 525.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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?
The IUPAC name of 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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 146892103) is 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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.
What is the SMILES notation for 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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?
The canonical SMILES for 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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 is c1ccc(-n2c3ccc(-c4cnc5oc6nccc(-n7c8ccccc8c8ccccc87)c6c5c4)cc3c3c4ccc(-c5cccc6c5ccc5c6c6cc(-c7cccc8oc9ccc(-c%10ccc%11c(c%10)c%10cccc%12c%10n%11-c%10ccccc%10O%12)cc9c78)ccc6n5-c5ccccc5)cc4ccc32)cc1.
What is the InChIKey of 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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?
The InChIKey is TUELUPSRFSFMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H54N6O3/c1-3-16-62(17-4-1)99-80-41-34-57(61-53-76-93-85(46-47-97-96(93)105-95(76)98-54-61)101-77-26-9-7-20-68(77)69-21-8-10-27-78(69)101)50-73(80)90-66-38-32-58(48-59(66)36-43-83(90)99)64-22-13-24-70-67(64)39-44-84-91(70)74-52-60(35-42-81(74)100(84)63-18-5-2-6-19-63)65-23-14-30-88-92(65)75-51-56(37-45-86(75)103-88)55-33-40-79-72(49-55)71-25-15-31-89-94(71)102(79)82-28-11-12-29-87(82)104-89/h1-54H.
What are the key properties of 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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?
5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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 has a molecular weight of 1339.53 g/mol, XLogP of 25.74, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-[4-[10-(13-carbazol-9-yl-8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-4-yl)-7-phenylbenzo[c]carbazol-3-yl]-7-phenylbenzo[c]carbazol-10-yl]dibenzofuran-2-yl]-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 is sourced from PubChem (CID 146892103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).