12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile

C185H113N11O2 — CID 159749385

IUPAC12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(C#N)ccc1C2c1ccccc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/2C48H30N2O.C45H27N3.C44H26N4/c1-2-14-31(15-3-1)34-22-13-23-35(46(34)50-43-25-9-4-18-36(43)37-19-5-10-26-44(37)50)32-16-12-17-33(30-32)49-42-24-8-6-20-38(42)40-28-29-41-39-21-7-11-27-45(39)51-48(41)47(40)49;1-2-14-31(15-3-1)34-22-13-23-35(47(34)50-41-24-8-4-18-36(41)37-19-5-9-25-42(37)50)32-16-12-17-33(30-32)49-43-26-10-6-21-40(43)46-44(49)29-28-39-38-20-7-11-27-45(38)51-48(39)46;46-27-29-21-23-37-40(25-29)41-26-30(28-47)22-24-38(41)44(37)36-16-5-4-13-33(36)39-18-10-17-32(31-11-2-1-3-12-31)45(39)48-42-19-8-6-14-34(42)35-15-7-9-20-43(35)48;45-27-29-20-22-42-38(24-29)39-25-30(28-46)21-23-43(39)47(42)33-13-8-12-32(26-33)35-17-9-16-34(31-10-2-1-3-11-31)44(35)48-40-18-6-4-14-36(40)37-15-5-7-19-41(37)48/h2*1-30H;1-26,44H;1-26H
InChIKeyNDLOZFKQPWIKJT-UHFFFAOYSA-N
MW2522.01 g/mol
LogP48.21
Rot. Bonds16

About 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile

12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile (PubChem CID 159749385) has the molecular formula C185H113N11O2 and a molecular weight of 2522.01 g/mol. Its IUPAC name is 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile.

Molecular Properties

Compound Name12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile
PubChem CID159749385
Molecular FormulaC185H113N11O2
Molecular Weight2522.01 g/mol
Exact Mass2519.91
IUPAC Name12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile
SMILESN#Cc1ccc2c(c1)-c1cc(C#N)ccc1C2c1ccccc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)c2-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/2C48H30N2O.C45H27N3.C44H26N4/c1-2-14-31(15-3-1)34-22-13-23-35(46(34)50-43-25-9-4-18-36(43)37-19-5-10-26-44(37)50)32-16-12-17-33(30-32)49-42-24-8-6-20-38(42)40-28-29-41-39-21-7-11-27-45(39)51-48(41)47(40)49;1-2-14-31(15-3-1)34-22-13-23-35(47(34)50-41-24-8-4-18-36(41)37-19-5-9-25-42(37)50)32-16-12-17-33(30-32)49-43-26-10-6-21-40(43)46-44(49)29-28-39-38-20-7-11-27-45(38)51-48(39)46;46-27-29-21-23-37-40(25-29)41-26-30(28-47)22-24-38(41)44(37)36-16-5-4-13-33(36)39-18-10-17-32(31-11-2-1-3-12-31)45(39)48-42-19-8-6-14-34(42)35-15-7-9-20-43(35)48;45-27-29-20-22-42-38(24-29)39-25-30(28-46)21-23-43(39)47(42)33-13-8-12-32(26-33)35-17-9-16-34(31-10-2-1-3-11-31)44(35)48-40-18-6-4-14-36(40)37-15-5-7-19-41(37)48/h2*1-30H;1-26,44H;1-26H
InChIKeyNDLOZFKQPWIKJT-UHFFFAOYSA-N
XLogP48.21
TPSA155.95 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds16
Heavy Atoms198
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002522.01
LogP ≤ 548.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile with MolForge

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Related Compounds

9-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 139339852
9-[3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-5-isocyanophenyl]carbazole-3-carbonitrile
CID 140823056
5-[3-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-2-carbonitrile;3-[3-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]-5-(3-isocyano-[1]benzofuro[2,3-a]carbazol-12-yl)benzonitrile;3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(2-isocyano-[1]benzofuro[3,2-c]carbazol-5-yl)benzonitrile;3-(2-isocyano-[1]benzofuro[3,2-c]carbazol-5-yl)-5-[4-(12-phenyl-12H-indeno[1,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 165106485
3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-(4-phenylcarbazol-9-yl)benzonitrile
CID 129291106
2-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;3-[2-[3-([1]benzofuro[3,2-c]carbazol-5-yl)-5-carbazol-9-ylphenyl]phenyl]benzonitrile;2-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile;3-[3-carbazol-9-yl-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]benzonitrile
CID 159371749
3-([1]benzofuro[3,2-a]carbazol-12-yl)-5-[3-(1-phenyl-[1]benzofuro[3,2-c]carbazol-5-yl)phenyl]benzonitrile
CID 129291271
5-[3-[3-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-cyanophenyl]-[1]benzofuro[3,2-c]carbazole-9-carbonitrile
CID 129291257
3-[3-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-5-carbazol-9-ylbenzonitrile
CID 129290927
9-[3-[3-(20-oxa-7,9-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574415
9-[3-[3-(20-oxa-3,5-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574412
9-[3-cyano-5-[3-(20-oxa-3,6-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-3-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 139574947
3-[3,5-bis([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-5-phenylbenzonitrile
CID 139340065

Frequently Asked Questions

What is the IUPAC name of 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
The IUPAC name of 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile (CID 159749385) is 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile.
What is the SMILES notation for 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
The canonical SMILES for 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile is N#Cc1ccc2c(c1)-c1cc(C#N)ccc1C2c1ccccc1-c1cccc(-c2ccccc2)c1-n1c2ccccc2c2ccccc21.N#Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1cccc(-c2cccc(-c3ccccc3)c2-n2c3ccccc3c3ccccc32)c1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)c3)c2-n2c3ccccc3c3ccccc32)cc1.c1ccc(-c2cccc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)c2-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
The InChIKey is NDLOZFKQPWIKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N2O.C45H27N3.C44H26N4/c1-2-14-31(15-3-1)34-22-13-23-35(46(34)50-43-25-9-4-18-36(43)37-19-5-10-26-44(37)50)32-16-12-17-33(30-32)49-42-24-8-6-20-38(42)40-28-29-41-39-21-7-11-27-45(39)51-48(41)47(40)49;1-2-14-31(15-3-1)34-22-13-23-35(47(34)50-41-24-8-4-18-36(41)37-19-5-9-25-42(37)50)32-16-12-17-33(30-32)49-43-26-10-6-21-40(43)46-44(49)29-28-39-38-20-7-11-27-45(38)51-48(39)46;46-27-29-21-23-37-40(25-29)41-26-30(28-47)22-24-38(41)44(37)36-16-5-4-13-33(36)39-18-10-17-32(31-11-2-1-3-12-31)45(39)48-42-19-8-6-14-34(42)35-15-7-9-20-43(35)48;45-27-29-20-22-42-38(24-29)39-25-30(28-46)21-23-43(39)47(42)33-13-8-12-32(26-33)35-17-9-16-34(31-10-2-1-3-11-31)44(35)48-40-18-6-4-14-36(40)37-15-5-7-19-41(37)48/h2*1-30H;1-26,44H;1-26H.
What are the key properties of 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile?
12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile has a molecular weight of 2522.01 g/mol, XLogP of 48.21, 16 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[2,3-a]carbazole;5-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole;9-[3-(2-carbazol-9-yl-3-phenylphenyl)phenyl]carbazole-3,6-dicarbonitrile;9-[2-(2-carbazol-9-yl-3-phenylphenyl)phenyl]-9H-fluorene-3,6-dicarbonitrile is sourced from PubChem (CID 159749385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).