9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole

C140H88N6 — CID 157375241

IUPAC9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6c7ccccc7cc7ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5cc5ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7c8ccccc8cc8ccccc78)c6c5)ccc43)c3ccccc3cc2c1
InChIInChI=1S/C52H32N2.2C44H28N2/c1-5-17-39-35(13-1)29-36-14-2-6-18-40(36)51(39)53-48-24-12-10-22-44(48)46-31-33(26-28-49(46)53)34-25-27-45-43-21-9-11-23-47(43)54(50(45)32-34)52-41-19-7-3-15-37(41)30-38-16-4-8-20-42(38)52;1-2-14-33(15-3-1)45-40-20-10-9-19-37(40)39-27-29(23-25-42(39)45)30-22-24-38-36-18-8-11-21-41(36)46(43(38)28-30)44-34-16-6-4-12-31(34)26-32-13-5-7-17-35(32)44;1-2-14-33(15-3-1)45-40-20-10-8-18-36(40)38-24-22-30(28-43(38)45)29-23-25-42-39(27-29)37-19-9-11-21-41(37)46(42)44-34-16-6-4-12-31(34)26-32-13-5-7-17-35(32)44/h1-32H;2*1-28H
InChIKeyBKGCPBKWZMFBHI-UHFFFAOYSA-N
MW1854.29 g/mol
LogP37.87
Rot. Bonds9

About 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole

9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole (PubChem CID 157375241) has the molecular formula C140H88N6 and a molecular weight of 1854.29 g/mol. Its IUPAC name is 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole
PubChem CID157375241
Molecular FormulaC140H88N6
Molecular Weight1854.29 g/mol
Exact Mass1852.71
IUPAC Name9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6c7ccccc7cc7ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5cc5ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7c8ccccc8cc8ccccc78)c6c5)ccc43)c3ccccc3cc2c1
InChIInChI=1S/C52H32N2.2C44H28N2/c1-5-17-39-35(13-1)29-36-14-2-6-18-40(36)51(39)53-48-24-12-10-22-44(48)46-31-33(26-28-49(46)53)34-25-27-45-43-21-9-11-23-47(43)54(50(45)32-34)52-41-19-7-3-15-37(41)30-38-16-4-8-20-42(38)52;1-2-14-33(15-3-1)45-40-20-10-9-19-37(40)39-27-29(23-25-42(39)45)30-22-24-38-36-18-8-11-21-41(36)46(43(38)28-30)44-34-16-6-4-12-31(34)26-32-13-5-7-17-35(32)44;1-2-14-33(15-3-1)45-40-20-10-8-18-36(40)38-24-22-30(28-43(38)45)29-23-25-42-39(27-29)37-19-9-11-21-41(37)46(42)44-34-16-6-4-12-31(34)26-32-13-5-7-17-35(32)44/h1-32H;2*1-28H
InChIKeyBKGCPBKWZMFBHI-UHFFFAOYSA-N
XLogP37.87
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001854.29
LogP ≤ 537.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-anthracen-9-yl-3-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-2-yl)carbazole
CID 118405055
3-(9-phenylcarbazol-2-yl)-9-[4-[2-[9-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]carbazole
CID 137420846
2-naphthalen-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 121262529
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3,6-diphenyl-9-[10-(9-phenylcarbazol-2-yl)anthracen-9-yl]carbazole
CID 118084392
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-[9-(4-methylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 135248578
9-phenyl-2-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129225606
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603

Frequently Asked Questions

What is the IUPAC name of 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole?
The IUPAC name of 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole (CID 157375241) is 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole.
What is the SMILES notation for 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole?
The canonical SMILES for 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6c7ccccc7cc7ccccc67)c5c4)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4c5ccccc5cc5ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4cc(-c5ccc6c7ccccc7n(-c7c8ccccc8cc8ccccc78)c6c5)ccc43)c3ccccc3cc2c1.
What is the InChIKey of 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole?
The InChIKey is BKGCPBKWZMFBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2.2C44H28N2/c1-5-17-39-35(13-1)29-36-14-2-6-18-40(36)51(39)53-48-24-12-10-22-44(48)46-31-33(26-28-49(46)53)34-25-27-45-43-21-9-11-23-47(43)54(50(45)32-34)52-41-19-7-3-15-37(41)30-38-16-4-8-20-42(38)52;1-2-14-33(15-3-1)45-40-20-10-9-19-37(40)39-27-29(23-25-42(39)45)30-22-24-38-36-18-8-11-21-41(36)46(43(38)28-30)44-34-16-6-4-12-31(34)26-32-13-5-7-17-35(32)44;1-2-14-33(15-3-1)45-40-20-10-8-18-36(40)38-24-22-30(28-43(38)45)29-23-25-42-39(27-29)37-19-9-11-21-41(37)46(42)44-34-16-6-4-12-31(34)26-32-13-5-7-17-35(32)44/h1-32H;2*1-28H.
What are the key properties of 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole?
9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole has a molecular weight of 1854.29 g/mol, XLogP of 37.87, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anthracen-9-yl-2-(9-anthracen-9-ylcarbazol-3-yl)carbazole;2-(9-anthracen-9-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-anthracen-9-ylcarbazol-2-yl)-9-phenylcarbazole is sourced from PubChem (CID 157375241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).