4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole

C56H40N2 — CID 155333735

IUPAC4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2c(-c3cccc4c(-c5c6ccccc6cc6ccccc56)c5cccc(-c6cccc7c6c6ccccc6n7CC)c5cc34)cccc21
InChIInChI=1S/C56H40N2/c1-3-57-49-29-11-9-21-45(49)53-41(27-15-31-51(53)57)39-23-13-25-43-47(39)34-48-40(42-28-16-32-52-54(42)46-22-10-12-30-50(46)58(52)4-2)24-14-26-44(48)56(43)55-37-19-7-5-17-35(37)33-36-18-6-8-20-38(36)55/h5-34H,3-4H2,1-2H3
InChIKeyFAWAOLCOHWEOQA-UHFFFAOYSA-N
MW740.95 g/mol
LogP15.56
Rot. Bonds5

About 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole

4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole (PubChem CID 155333735) has the molecular formula C56H40N2 and a molecular weight of 740.95 g/mol. Its IUPAC name is 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole.

Molecular Properties

Compound Name4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
PubChem CID155333735
Molecular FormulaC56H40N2
Molecular Weight740.95 g/mol
Exact Mass740.32
IUPAC Name4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole
SMILESCCn1c2ccccc2c2c(-c3cccc4c(-c5c6ccccc6cc6ccccc56)c5cccc(-c6cccc7c6c6ccccc6n7CC)c5cc34)cccc21
InChIInChI=1S/C56H40N2/c1-3-57-49-29-11-9-21-45(49)53-41(27-15-31-51(53)57)39-23-13-25-43-47(39)34-48-40(42-28-16-32-52-54(42)46-22-10-12-30-50(46)58(52)4-2)24-14-26-44(48)56(43)55-37-19-7-5-17-35(37)33-36-18-6-8-20-38(36)55/h5-34H,3-4H2,1-2H3
InChIKeyFAWAOLCOHWEOQA-UHFFFAOYSA-N
XLogP15.56
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.95
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-ethyl-4-[8-(9-ethylcarbazol-4-yl)-10-pyren-4-ylanthracen-1-yl]carbazole
CID 155334836
9-ethyl-3-[8-(9-ethylcarbazol-3-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]carbazole
CID 155333067
2-[10-(4,5-diphenylanthracen-9-yl)-8-(9-ethylcarbazol-2-yl)anthracen-1-yl]-9-ethylcarbazole
CID 155334274
9-ethyl-4-(4-triphenylen-2-ylphenyl)carbazole
CID 88924321
3-[10-anthracen-9-yl-8-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)anthracen-1-yl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 155334642
7-ethyl-11-[8-(7-ethylbenzo[c]carbazol-11-yl)-10-(4-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-1-[8-(7-phenylbenzo[c]carbazol-1-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole;7-phenyl-4-[8-(7-phenylbenzo[c]carbazol-4-yl)-10-(2-phenylphenyl)anthracen-1-yl]benzo[c]carbazole
CID 162109937
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaene
CID 122464016
1,10-dinaphthalen-1-ylanthracene
CID 58645117
9-ethyl-9-azahexacyclo[11.11.0.02,10.03,8.016,24.018,23]tetracosa-1(13),2(10),3,5,7,11,14,16(24),18,20,22-undecaene
CID 122463997
22-ethyl-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene
CID 122464018
1-[10-(4,5-dinaphthalen-1-ylanthracen-9-yl)-8-(5-methylbenzo[b]phosphindol-1-yl)anthracen-1-yl]-5-methylbenzo[b]phosphindole
CID 155334729
9-phenyl-4-[8-(9-phenylcarbazol-4-yl)-10-(7-phenylnaphthalen-1-yl)anthracen-1-yl]carbazole
CID 155333886

Frequently Asked Questions

What is the IUPAC name of 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole?
The IUPAC name of 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole (CID 155333735) is 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole.
What is the SMILES notation for 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole?
The canonical SMILES for 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole is CCn1c2ccccc2c2c(-c3cccc4c(-c5c6ccccc6cc6ccccc56)c5cccc(-c6cccc7c6c6ccccc6n7CC)c5cc34)cccc21.
What is the InChIKey of 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole?
The InChIKey is FAWAOLCOHWEOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H40N2/c1-3-57-49-29-11-9-21-45(49)53-41(27-15-31-51(53)57)39-23-13-25-43-47(39)34-48-40(42-28-16-32-52-54(42)46-22-10-12-30-50(46)58(52)4-2)24-14-26-44(48)56(43)55-37-19-7-5-17-35(37)33-36-18-6-8-20-38(36)55/h5-34H,3-4H2,1-2H3.
What are the key properties of 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole?
4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole has a molecular weight of 740.95 g/mol, XLogP of 15.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-anthracen-9-yl-8-(9-ethylcarbazol-4-yl)anthracen-1-yl]-9-ethylcarbazole is sourced from PubChem (CID 155333735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).