3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole

C287H177N7 — CID 158525885

IUPAC3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cc(-n3c4ccccc4c4cc5ccccc5cc43)ccc1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cc(-n3c4ccccc4c4ccc5ccccc5c43)ccc1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cccc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)c1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cccc(-n3c4ccccc4c4ccc5ccccc5c43)c1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2[nH]c2ccccc23)c1.c1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5ccccc5c43)cc1-2
InChIInChI=1S/C51H31N.C48H30N2.4C47H29N/c1-3-13-35-31(11-1)24-27-48-50(35)51-36-14-4-2-12-32(36)25-28-49(51)52(48)47-22-10-21-42-41-20-9-19-34(45(41)30-46(42)47)33-23-26-43-39-17-6-5-15-37(39)38-16-7-8-18-40(38)44(43)29-33;1-2-16-36-34(14-1)35-15-3-4-17-37(35)43-27-31(24-25-38(36)43)30-12-11-13-32(26-30)42-28-33(29-44-39-18-5-8-21-45(39)49-48(42)44)50-46-22-9-6-19-40(46)41-20-7-10-23-47(41)50;1-4-14-34-29(11-1)21-24-41-40-19-9-10-20-46(40)48(47(34)41)32-27-42(44-25-30-12-2-3-13-33(30)45(44)28-32)31-22-23-39-37-17-6-5-15-35(37)36-16-7-8-18-38(36)43(39)26-31;1-2-12-32-29(11-1)23-26-41-40-17-7-8-21-45(40)48(47(32)41)46-22-10-20-38-37-19-9-18-31(43(37)28-44(38)46)30-24-25-39-35-15-4-3-13-33(35)34-14-5-6-16-36(34)42(39)27-30;1-2-11-34-29(10-1)21-25-42-41-16-7-8-19-46(41)48(47(34)42)32-23-20-31-27-44-33(17-9-18-39(44)43(31)28-32)30-22-24-40-37-14-4-3-12-35(37)36-13-5-6-15-38(36)45(40)26-30;1-2-11-30-27-47-45(24-29(30)10-1)41-16-7-8-19-46(41)48(47)33-22-20-32-26-43-34(17-9-18-39(43)42(32)28-33)31-21-23-40-37-14-4-3-12-35(37)36-13-5-6-15-38(36)44(40)25-31/h1-29H,30H2;1-29,49H;1-24,26-28H,25H2;1-27H,28H2;1-26,28H,27H2;1-25,27-28H,26H2
InChIKeyHMTVJWWDLRFKBG-UHFFFAOYSA-N
MW3723.62 g/mol
LogP77.54
Rot. Bonds13

About 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole

3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole (PubChem CID 158525885) has the molecular formula C287H177N7 and a molecular weight of 3723.62 g/mol. Its IUPAC name is 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole
PubChem CID158525885
Molecular FormulaC287H177N7
Molecular Weight3723.62 g/mol
Exact Mass3720.41
IUPAC Name3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole
SMILESc1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cc(-n3c4ccccc4c4cc5ccccc5cc43)ccc1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cc(-n3c4ccccc4c4ccc5ccccc5c43)ccc1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cccc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)c1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cccc(-n3c4ccccc4c4ccc5ccccc5c43)c1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2[nH]c2ccccc23)c1.c1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5ccccc5c43)cc1-2
InChIInChI=1S/C51H31N.C48H30N2.4C47H29N/c1-3-13-35-31(11-1)24-27-48-50(35)51-36-14-4-2-12-32(36)25-28-49(51)52(48)47-22-10-21-42-41-20-9-19-34(45(41)30-46(42)47)33-23-26-43-39-17-6-5-15-37(39)38-16-7-8-18-40(38)44(43)29-33;1-2-16-36-34(14-1)35-15-3-4-17-37(35)43-27-31(24-25-38(36)43)30-12-11-13-32(26-30)42-28-33(29-44-39-18-5-8-21-45(39)49-48(42)44)50-46-22-9-6-19-40(46)41-20-7-10-23-47(41)50;1-4-14-34-29(11-1)21-24-41-40-19-9-10-20-46(40)48(47(34)41)32-27-42(44-25-30-12-2-3-13-33(30)45(44)28-32)31-22-23-39-37-17-6-5-15-35(37)36-16-7-8-18-38(36)43(39)26-31;1-2-12-32-29(11-1)23-26-41-40-17-7-8-21-45(40)48(47(32)41)46-22-10-20-38-37-19-9-18-31(43(37)28-44(38)46)30-24-25-39-35-15-4-3-13-33(35)34-14-5-6-16-36(34)42(39)27-30;1-2-11-34-29(10-1)21-25-42-41-16-7-8-19-46(41)48(47(34)42)32-23-20-31-27-44-33(17-9-18-39(44)43(31)28-32)30-22-24-40-37-14-4-3-12-35(37)36-13-5-6-15-38(36)45(40)26-30;1-2-11-30-27-47-45(24-29(30)10-1)41-16-7-8-19-46(41)48(47)33-22-20-32-26-43-34(17-9-18-39(43)42(32)28-33)31-21-23-40-37-14-4-3-12-35(37)36-13-5-6-15-38(36)44(40)25-31/h1-29H,30H2;1-29,49H;1-24,26-28H,25H2;1-27H,28H2;1-26,28H,27H2;1-25,27-28H,26H2
InChIKeyHMTVJWWDLRFKBG-UHFFFAOYSA-N
XLogP77.54
TPSA45.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms294
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003723.62
LogP ≤ 577.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole?
The IUPAC name of 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole (CID 158525885) is 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole?
The canonical SMILES for 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole is c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cc(-n3c4ccccc4c4cc5ccccc5cc43)ccc1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cc(-n3c4ccccc4c4ccc5ccccc5c43)ccc1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cccc(-n3c4ccc5ccccc5c4c4c5ccccc5ccc43)c1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)c2c(c1)-c1cccc(-n3c4ccccc4c4ccc5ccccc5c43)c1C2.c1cc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc(-c2cc(-n3c4ccccc4c4ccccc43)cc3c2[nH]c2ccccc23)c1.c1ccc2c(c1)Cc1c(-c3ccc4c5ccccc5c5ccccc5c4c3)cc(-n3c4ccccc4c4ccc5ccccc5c43)cc1-2.
What is the InChIKey of 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole?
The InChIKey is HMTVJWWDLRFKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N.C48H30N2.4C47H29N/c1-3-13-35-31(11-1)24-27-48-50(35)51-36-14-4-2-12-32(36)25-28-49(51)52(48)47-22-10-21-42-41-20-9-19-34(45(41)30-46(42)47)33-23-26-43-39-17-6-5-15-37(39)38-16-7-8-18-40(38)44(43)29-33;1-2-16-36-34(14-1)35-15-3-4-17-37(35)43-27-31(24-25-38(36)43)30-12-11-13-32(26-30)42-28-33(29-44-39-18-5-8-21-45(39)49-48(42)44)50-46-22-9-6-19-40(46)41-20-7-10-23-47(41)50;1-4-14-34-29(11-1)21-24-41-40-19-9-10-20-46(40)48(47(34)41)32-27-42(44-25-30-12-2-3-13-33(30)45(44)28-32)31-22-23-39-37-17-6-5-15-35(37)36-16-7-8-18-38(36)43(39)26-31;1-2-12-32-29(11-1)23-26-41-40-17-7-8-21-45(40)48(47(32)41)46-22-10-20-38-37-19-9-18-31(43(37)28-44(38)46)30-24-25-39-35-15-4-3-13-33(35)34-14-5-6-16-36(34)42(39)27-30;1-2-11-34-29(10-1)21-25-42-41-16-7-8-19-46(41)48(47(34)42)32-23-20-31-27-44-33(17-9-18-39(44)43(31)28-32)30-22-24-40-37-14-4-3-12-35(37)36-13-5-6-15-38(36)45(40)26-30;1-2-11-30-27-47-45(24-29(30)10-1)41-16-7-8-19-46(41)48(47)33-22-20-32-26-43-34(17-9-18-39(43)42(32)28-33)31-21-23-40-37-14-4-3-12-35(37)36-13-5-6-15-38(36)44(40)25-31/h1-29H,30H2;1-29,49H;1-24,26-28H,25H2;1-27H,28H2;1-26,28H,27H2;1-25,27-28H,26H2.
What are the key properties of 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole?
3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole has a molecular weight of 3723.62 g/mol, XLogP of 77.54, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-1-(3-triphenylen-2-ylphenyl)-9H-carbazole;12-(8-triphenylen-2-yl-9H-fluoren-1-yl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;11-(1-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-1-yl)benzo[a]carbazole;11-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[a]carbazole;5-(8-triphenylen-2-yl-9H-fluoren-3-yl)benzo[b]carbazole is sourced from PubChem (CID 158525885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).