10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine

C138H96N8O2 — CID 161427621

IUPAC10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-n2c3ccccc3c3ccc4c(cc(-c5ccccc5)n4-c4ccccc4)c32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccc(-n2c3ccccc3c3ccc4c(cc(-c5ccccc5)n4-c4ccccc4)c32)c1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c43)n2-c2ccccc2)cc1
InChIInChI=1S/2C46H33N3O.C46H30N2/c1-30-20-23-41-44(26-30)50-45-27-31(2)21-24-42(45)48(41)34-16-11-17-35(28-34)49-39-19-10-9-18-36(39)37-22-25-40-38(46(37)49)29-43(32-12-5-3-6-13-32)47(40)33-14-7-4-8-15-33;1-30-17-24-41-44(27-30)50-45-28-31(2)18-25-42(45)48(41)34-19-21-35(22-20-34)49-39-16-10-9-15-36(39)37-23-26-40-38(46(37)49)29-43(32-11-5-3-6-12-32)47(40)33-13-7-4-8-14-33;1-3-13-31(14-4-1)44-30-41-43(47(44)35-17-5-2-6-18-35)28-27-40-39-21-11-12-22-42(39)48(46(40)41)36-25-23-32(24-26-36)45-37-19-9-7-15-33(37)29-34-16-8-10-20-38(34)45/h2*3-29H,1-2H3;1-30H
InChIKeyVXOQBCJOZBTNMY-UHFFFAOYSA-N
MW1898.34 g/mol
LogP37.54
Rot. Bonds12

About 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine

10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine (PubChem CID 161427621) has the molecular formula C138H96N8O2 and a molecular weight of 1898.34 g/mol. Its IUPAC name is 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine.

Molecular Properties

Compound Name10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine
PubChem CID161427621
Molecular FormulaC138H96N8O2
Molecular Weight1898.34 g/mol
Exact Mass1896.77
IUPAC Name10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine
SMILESCc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-n2c3ccccc3c3ccc4c(cc(-c5ccccc5)n4-c4ccccc4)c32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccc(-n2c3ccccc3c3ccc4c(cc(-c5ccccc5)n4-c4ccccc4)c32)c1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c43)n2-c2ccccc2)cc1
InChIInChI=1S/2C46H33N3O.C46H30N2/c1-30-20-23-41-44(26-30)50-45-27-31(2)21-24-42(45)48(41)34-16-11-17-35(28-34)49-39-19-10-9-18-36(39)37-22-25-40-38(46(37)49)29-43(32-12-5-3-6-13-32)47(40)33-14-7-4-8-15-33;1-30-17-24-41-44(27-30)50-45-28-31(2)18-25-42(45)48(41)34-19-21-35(22-20-34)49-39-16-10-9-15-36(39)37-23-26-40-38(46(37)49)29-43(32-11-5-3-6-12-32)47(40)33-13-7-4-8-14-33;1-3-13-31(14-4-1)44-30-41-43(47(44)35-17-5-2-6-18-35)28-27-40-39-21-11-12-22-42(39)48(46(40)41)36-25-23-32(24-26-36)45-37-19-9-7-15-33(37)29-34-16-8-10-20-38(34)45/h2*3-29H,1-2H3;1-30H
InChIKeyVXOQBCJOZBTNMY-UHFFFAOYSA-N
XLogP37.54
TPSA54.52 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001898.34
LogP ≤ 537.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine with MolForge

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Related Compounds

10-(3-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315588
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
10-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 118315612
2,3-diphenyl-10-pyren-1-ylpyrrolo[3,2-a]carbazole;10-(3-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-(4-phenanthren-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole
CID 158419634
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole
CID 59844582
3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159365234
3,6-dimethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(3-methyl-10-phenylanthracen-9-yl)phenyl]carbazole;3-methyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 157052187
7-(4-phenylphenyl)-10-[9-(3-triphenylen-2-ylphenyl)carbazol-3-yl]benzo[c]phenoxazine
CID 155791171
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
3,7-dimethyl-10-(9-methylcarbazol-3-yl)phenoxazine
CID 158231625

Frequently Asked Questions

What is the IUPAC name of 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine?
The IUPAC name of 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine (CID 161427621) is 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine.
What is the SMILES notation for 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine?
The canonical SMILES for 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine is Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1ccc(-n2c3ccccc3c3ccc4c(cc(-c5ccccc5)n4-c4ccccc4)c32)cc1.Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccc(-n2c3ccccc3c3ccc4c(cc(-c5ccccc5)n4-c4ccccc4)c32)c1.c1ccc(-c2cc3c(ccc4c5ccccc5n(-c5ccc(-c6c7ccccc7cc7ccccc67)cc5)c43)n2-c2ccccc2)cc1.
What is the InChIKey of 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine?
The InChIKey is VXOQBCJOZBTNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H33N3O.C46H30N2/c1-30-20-23-41-44(26-30)50-45-27-31(2)21-24-42(45)48(41)34-16-11-17-35(28-34)49-39-19-10-9-18-36(39)37-22-25-40-38(46(37)49)29-43(32-12-5-3-6-13-32)47(40)33-14-7-4-8-15-33;1-30-17-24-41-44(27-30)50-45-28-31(2)18-25-42(45)48(41)34-19-21-35(22-20-34)49-39-16-10-9-15-36(39)37-23-26-40-38(46(37)49)29-43(32-11-5-3-6-12-32)47(40)33-13-7-4-8-14-33;1-3-13-31(14-4-1)44-30-41-43(47(44)35-17-5-2-6-18-35)28-27-40-39-21-11-12-22-42(39)48(46(40)41)36-25-23-32(24-26-36)45-37-19-9-7-15-33(37)29-34-16-8-10-20-38(34)45/h2*3-29H,1-2H3;1-30H.
What are the key properties of 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine?
10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine has a molecular weight of 1898.34 g/mol, XLogP of 37.54, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine is sourced from PubChem (CID 161427621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).