4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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

C242H140N12OS2 — CID 157084390

About 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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

4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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 (PubChem CID 157084390) has the molecular formula C242H140N12OS2 and a molecular weight of 3296.00 g/mol. Its IUPAC name is 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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.

Molecular Properties

• Compound Name: 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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
• PubChem CID: 157084390
• Molecular Formula: C242H140N12OS2
• Molecular Weight: 3296.00 g/mol
• Exact Mass: 3293.07
• IUPAC Name: 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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
• SMILES: c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)cc4)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc45)ccc32)cc1.c1ccc2c(c1)oc1cc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)ccc4c3)ccc12.c1ccc2c(c1)sc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)ccc12
• InChI: InChI=1S/C64H37N3O.C64H37N3.C60H35N3S.C54H31N3S/c1-7-18-58-46(10-1)52-14-9-15-53-49-29-27-45(37-61(49)67(58)64(52)53)66-57-17-6-3-12-48(57)55-35-42(25-31-60(55)66)41-24-30-59-54(34-41)47-11-2-5-16-56(47)65(59)44-26-22-39-32-38(20-21-40(39)33-44)43-23-28-51-50-13-4-8-19-62(50)68-63(51)36-43;1-6-18-58-47(11-1)52-14-8-15-53-50-32-29-45(37-61(50)67(58)64(52)53)66-57-17-5-3-13-49(57)55-36-43(26-34-60(55)66)42-25-33-59-54(35-42)48-12-2-4-16-56(48)65(59)44-27-21-38(22-28-44)46-30-23-41-20-19-39-9-7-10-40-24-31-51(46)63(41)62(39)40;1-2-11-40(12-3-1)61-52-18-7-5-14-43(52)50-31-36(23-29-55(50)61)38-21-26-46-47-27-22-39(34-59(47)64-58(46)33-38)37-24-30-56-51(32-37)44-15-6-8-19-53(44)62(56)41-25-28-45-49-17-10-16-48-42-13-4-9-20-54(42)63(60(48)49)57(45)35-41;1-7-18-48-36(10-1)42-14-9-15-43-39-24-22-34(30-51(39)57(48)54(42)43)55-46-16-5-2-11-37(46)44-28-32(20-26-49(44)55)33-21-27-50-45(29-33)38-12-3-6-17-47(38)56(50)35-23-25-41-40-13-4-8-19-52(40)58-53(41)31-35/h1-37H;1-37H;1-35H;1-31H
• InChIKey: ADXPDZBIDUFXOW-UHFFFAOYSA-N
• XLogP: 66.48
• TPSA: 70.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3296.00
LogP ≤ 5	66.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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?

The IUPAC name of 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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 157084390) is 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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.

What is the SMILES notation for 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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?

The canonical SMILES for 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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 is c1cc2ccc3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)cc4)c4ccc(c1)c2c34.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)sc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c8cccc9c%10ccccc%10n(c7c6)c98)ccc45)ccc32)cc1.c1ccc2c(c1)oc1cc(-c3ccc4cc(-n5c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8c9cccc%10c%11ccccc%11n(c8c7)c%109)ccc65)ccc4c3)ccc12.c1ccc2c(c1)sc1cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6c7cccc8c9ccccc9n(c6c5)c87)ccc43)ccc12.

What is the InChIKey of 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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?

The InChIKey is ADXPDZBIDUFXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H37N3O.C64H37N3.C60H35N3S.C54H31N3S/c1-7-18-58-46(10-1)52-14-9-15-53-49-29-27-45(37-61(49)67(58)64(52)53)66-57-17-6-3-12-48(57)55-35-42(25-31-60(55)66)41-24-30-59-54(34-41)47-11-2-5-16-56(47)65(59)44-26-22-39-32-38(20-21-40(39)33-44)43-23-28-51-50-13-4-8-19-62(50)68-63(51)36-43;1-6-18-58-47(11-1)52-14-8-15-53-50-32-29-45(37-61(50)67(58)64(52)53)66-57-17-5-3-13-49(57)55-36-43(26-34-60(55)66)42-25-33-59-54(35-42)48-12-2-4-16-56(48)65(59)44-27-21-38(22-28-44)46-30-23-41-20-19-39-9-7-10-40-24-31-51(46)63(41)62(39)40;1-2-11-40(12-3-1)61-52-18-7-5-14-43(52)50-31-36(23-29-55(50)61)38-21-26-46-47-27-22-39(34-59(47)64-58(46)33-38)37-24-30-56-51(32-37)44-15-6-8-19-53(44)62(56)41-25-28-45-49-17-10-16-48-42-13-4-9-20-54(42)63(60(48)49)57(45)35-41;1-7-18-48-36(10-1)42-14-9-15-43-39-24-22-34(30-51(39)57(48)54(42)43)55-46-16-5-2-11-37(46)44-28-32(20-26-49(44)55)33-21-27-50-45(29-33)38-12-3-6-17-47(38)56(50)35-23-25-41-40-13-4-8-19-52(40)58-53(41)31-35/h1-37H;1-37H;1-35H;1-31H.

What are the key properties of 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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?

4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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 has a molecular weight of 3296.00 g/mol, XLogP of 66.48, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]carbazol-9-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;4-[3-(9-dibenzothiophen-3-ylcarbazol-3-yl)carbazol-9-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;4-[3-[7-(9-phenylcarbazol-3-yl)dibenzothiophen-3-yl]carbazol-9-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;4-[3-[9-(4-pyren-1-ylphenyl)carbazol-3-yl]carbazol-9-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 is sourced from PubChem (CID 157084390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).