3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole

C158H119BrN8OP+ — CID 162034040

IUPAC3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2C1=CC=[C+]C=C1.COc1cccc(C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C66H42N4.C48H31N3.C26H35OP.C18H11BrN/c1-4-16-47(17-5-1)67-59-25-13-10-22-51(59)54-38-43(28-33-62(54)67)45-30-35-64-56(40-45)57-41-46(44-29-34-63-55(39-44)52-23-11-14-26-60(52)68(63)48-18-6-2-7-19-48)31-36-65(57)70(64)50-32-37-66-58(42-50)53-24-12-15-27-61(53)69(66)49-20-8-3-9-21-49;1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;1-20-12-11-18-24(27-2)26(20)23-17-9-10-19-25(23)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-42H;1-30,49H;9-12,17-19,21-22H,3-8,13-16H2,1-2H3;2-12H/q;;;+1
InChIKeyYWKGVVLBXZGGMB-UHFFFAOYSA-N
MW2256.62 g/mol
LogP43.03
Rot. Bonds16

About 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole

3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole (PubChem CID 162034040) has the molecular formula C158H119BrN8OP+ and a molecular weight of 2256.62 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
PubChem CID162034040
Molecular FormulaC158H119BrN8OP+
Molecular Weight2256.62 g/mol
Exact Mass2253.84
IUPAC Name3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
SMILESBrc1ccc2c(c1)c1ccccc1n2C1=CC=[C+]C=C1.COc1cccc(C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1
InChIInChI=1S/C66H42N4.C48H31N3.C26H35OP.C18H11BrN/c1-4-16-47(17-5-1)67-59-25-13-10-22-51(59)54-38-43(28-33-62(54)67)45-30-35-64-56(40-45)57-41-46(44-29-34-63-55(39-44)52-23-11-14-26-60(52)68(63)48-18-6-2-7-19-48)31-36-65(57)70(64)50-32-37-66-58(42-50)53-24-12-15-27-61(53)69(66)49-20-8-3-9-21-49;1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;1-20-12-11-18-24(27-2)26(20)23-17-9-10-19-25(23)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-42H;1-30,49H;9-12,17-19,21-22H,3-8,13-16H2,1-2H3;2-12H/q;;;+1
InChIKeyYWKGVVLBXZGGMB-UHFFFAOYSA-N
XLogP43.03
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms169
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002256.62
LogP ≤ 543.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole (CID 162034040) is 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole is Brc1ccc2c(c1)c1ccccc1n2C1=CC=[C+]C=C1.COc1cccc(C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5[nH]c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)cc6c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole?
The InChIKey is YWKGVVLBXZGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N4.C48H31N3.C26H35OP.C18H11BrN/c1-4-16-47(17-5-1)67-59-25-13-10-22-51(59)54-38-43(28-33-62(54)67)45-30-35-64-56(40-45)57-41-46(44-29-34-63-55(39-44)52-23-11-14-26-60(52)68(63)48-18-6-2-7-19-48)31-36-65(57)70(64)50-32-37-66-58(42-50)53-24-12-15-27-61(53)69(66)49-20-8-3-9-21-49;1-3-11-35(12-4-1)50-45-17-9-7-15-37(45)41-29-33(21-25-47(41)50)31-19-23-43-39(27-31)40-28-32(20-24-44(40)49-43)34-22-26-48-42(30-34)38-16-8-10-18-46(38)51(48)36-13-5-2-6-14-36;1-20-12-11-18-24(27-2)26(20)23-17-9-10-19-25(23)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;19-13-10-11-18-16(12-13)15-8-4-5-9-17(15)20(18)14-6-2-1-3-7-14/h1-42H;1-30,49H;9-12,17-19,21-22H,3-8,13-16H2,1-2H3;2-12H/q;;;+1.
What are the key properties of 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole?
3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2256.62 g/mol, XLogP of 43.03, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-3-yl)-9H-carbazole;3-bromo-9-(cyclohexatrienyl)carbazole;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 162034040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).