7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline

C136H83N9 — CID 160969507

IUPAC7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)ccc32)cc1
InChIInChI=1S/C48H29N3.2C44H27N3/c1-2-14-32(15-3-1)51-42-23-11-9-16-33(42)40-29-31(25-27-43(40)51)44-34-17-4-6-19-36(34)45(37-20-7-5-18-35(37)44)46-38-21-8-10-22-41(38)50-48-39(46)26-24-30-13-12-28-49-47(30)48;1-2-10-34(11-3-1)47-40-15-7-5-12-35(40)38-27-32(21-23-41(38)47)30-16-17-31-26-33(19-18-29(31)25-30)42-36-13-4-6-14-39(36)46-44-37(42)22-20-28-9-8-24-45-43(28)44;1-2-12-30(13-3-1)47-40-19-9-7-16-34(40)38-27-29(21-25-41(38)47)31-23-24-35(33-15-5-4-14-32(31)33)42-36-17-6-8-18-39(36)46-44-37(42)22-20-28-11-10-26-45-43(28)44/h1-29H;2*1-27H
InChIKeySYBLNJAAHGJJCG-UHFFFAOYSA-N
MW1843.22 g/mol
LogP35.71
Rot. Bonds9

About 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline

7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline (PubChem CID 160969507) has the molecular formula C136H83N9 and a molecular weight of 1843.22 g/mol. Its IUPAC name is 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline.

Molecular Properties

Compound Name7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
PubChem CID160969507
Molecular FormulaC136H83N9
Molecular Weight1843.22 g/mol
Exact Mass1841.68
IUPAC Name7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
SMILESc1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)ccc32)cc1
InChIInChI=1S/C48H29N3.2C44H27N3/c1-2-14-32(15-3-1)51-42-23-11-9-16-33(42)40-29-31(25-27-43(40)51)44-34-17-4-6-19-36(34)45(37-20-7-5-18-35(37)44)46-38-21-8-10-22-41(38)50-48-39(46)26-24-30-13-12-28-49-47(30)48;1-2-10-34(11-3-1)47-40-15-7-5-12-35(40)38-27-32(21-23-41(38)47)30-16-17-31-26-33(19-18-29(31)25-30)42-36-13-4-6-14-39(36)46-44-37(42)22-20-28-9-8-24-45-43(28)44;1-2-12-30(13-3-1)47-40-19-9-7-16-34(40)38-27-29(21-25-41(38)47)31-23-24-35(33-15-5-4-14-32(31)33)42-36-17-6-8-18-39(36)46-44-37(42)22-20-28-11-10-26-45-43(28)44/h1-29H;2*1-27H
InChIKeySYBLNJAAHGJJCG-UHFFFAOYSA-N
XLogP35.71
TPSA92.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms145
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001843.22
LogP ≤ 535.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline with MolForge

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Related Compounds

7-[4-(9-phenylcarbazol-3-yl)phenyl]benzo[b][1,10]phenanthroline
CID 134559213
7-[4-[3-[3-[2-(6-benzo[b][1,10]phenanthrolin-7-ylnaphthalen-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]carbazol-9-yl]-5-carbazol-9-ylphenyl]phenyl]benzo[b][1,10]phenanthroline
CID 164978520
7-[4-(3-carbazol-9-ylphenyl)phenyl]benzo[b][1,10]phenanthroline
CID 134559444
7-[4-(3-carbazol-9-ylcarbazol-9-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline
CID 139445957
7-triphenylen-2-ylbenzo[b][1,10]phenanthroline
CID 139446092
7-[7-(1,10-phenanthrolin-4-yl)phenanthren-2-yl]benzo[b][1,10]phenanthroline
CID 134559203
3-(9-phenylcarbazol-3-yl)-9-(4-quinolin-8-ylphenyl)carbazole
CID 118133191
8-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-5-phenylpyrido[3,2-b]indole
CID 88886611
3-(10-naphthalen-2-yl-2-phenylanthracen-9-yl)-9-phenylcarbazole
CID 176777777
6-[4-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[5-[5-[5-(9-phenylcarbazol-3-yl)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-yl]phenanthro[9,10-b]pyrazine;6-[6-[6-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine;6-[3-[6-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]naphthalen-2-yl]phenyl]phenanthro[9,10-b]pyrazine;6-[6-[6-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]phenanthro[9,10-b]pyrazine
CID 157246009
methanol;8-[4-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-1-yl]-5-phenylpyrido[4,3-b]indole
CID 159089156
7-(10-benzo[b][1,10]phenanthrolin-7-ylanthracen-9-yl)benzo[b][1,10]phenanthroline
CID 134559539

Frequently Asked Questions

What is the IUPAC name of 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline?
The IUPAC name of 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline (CID 160969507) is 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline.
What is the SMILES notation for 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline?
The canonical SMILES for 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline is c1ccc(-n2c3ccccc3c3cc(-c4c5ccccc5c(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5c6ccccc6nc6c5ccc5cccnc56)c5ccccc45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc5cc(-c6c7ccccc7nc7c6ccc6cccnc67)ccc5c4)ccc32)cc1.
What is the InChIKey of 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline?
The InChIKey is SYBLNJAAHGJJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3.2C44H27N3/c1-2-14-32(15-3-1)51-42-23-11-9-16-33(42)40-29-31(25-27-43(40)51)44-34-17-4-6-19-36(34)45(37-20-7-5-18-35(37)44)46-38-21-8-10-22-41(38)50-48-39(46)26-24-30-13-12-28-49-47(30)48;1-2-10-34(11-3-1)47-40-15-7-5-12-35(40)38-27-32(21-23-41(38)47)30-16-17-31-26-33(19-18-29(31)25-30)42-36-13-4-6-14-39(36)46-44-37(42)22-20-28-9-8-24-45-43(28)44;1-2-12-30(13-3-1)47-40-19-9-7-16-34(40)38-27-29(21-25-41(38)47)31-23-24-35(33-15-5-4-14-32(31)33)42-36-17-6-8-18-39(36)46-44-37(42)22-20-28-11-10-26-45-43(28)44/h1-29H;2*1-27H.
What are the key properties of 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline?
7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline has a molecular weight of 1843.22 g/mol, XLogP of 35.71, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[10-(9-phenylcarbazol-3-yl)anthracen-9-yl]benzo[b][1,10]phenanthroline;7-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]benzo[b][1,10]phenanthroline;7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline is sourced from PubChem (CID 160969507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).