5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol

C56H34N2O2 — CID 171053071

IUPAC5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol
SMILESOc1ccc2c(c1)c1c(-c3ccc4c5ccc(-c6cccc7c6c6cc(O)ccc6n7-c6ccccc6)c6cccc(c7cccc3c74)c65)cccc1n2-c1ccccc1
InChIInChI=1S/C56H34N2O2/c59-35-23-29-49-47(31-35)55-41(19-9-21-51(55)57(49)33-11-3-1-4-12-33)37-25-27-45-46-28-26-38(40-16-8-18-44(54(40)46)43-17-7-15-39(37)53(43)45)42-20-10-22-52-56(42)48-32-36(60)24-30-50(48)58(52)34-13-5-2-6-14-34/h1-32,59-60H
InChIKeyAHYHUSRGDOXYBI-UHFFFAOYSA-N
MW766.90 g/mol
LogP14.68
Rot. Bonds4

About 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol

5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol (PubChem CID 171053071) has the molecular formula C56H34N2O2 and a molecular weight of 766.90 g/mol. Its IUPAC name is 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol.

Molecular Properties

Compound Name5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol
PubChem CID171053071
Molecular FormulaC56H34N2O2
Molecular Weight766.90 g/mol
Exact Mass766.26
IUPAC Name5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol
SMILESOc1ccc2c(c1)c1c(-c3ccc4c5ccc(-c6cccc7c6c6cc(O)ccc6n7-c6ccccc6)c6cccc(c7cccc3c74)c65)cccc1n2-c1ccccc1
InChIInChI=1S/C56H34N2O2/c59-35-23-29-49-47(31-35)55-41(19-9-21-51(55)57(49)33-11-3-1-4-12-33)37-25-27-45-46-28-26-38(40-16-8-18-44(54(40)46)43-17-7-15-39(37)53(43)45)42-20-10-22-52-56(42)48-32-36(60)24-30-50(48)58(52)34-13-5-2-6-14-34/h1-32,59-60H
InChIKeyAHYHUSRGDOXYBI-UHFFFAOYSA-N
XLogP14.68
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 514.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-4-[10-(9-phenylcarbazol-4-yl)perylen-3-yl]carbazole
CID 171428659
4-(4-fluoranthen-3-ylnaphthalen-1-yl)-9-phenylcarbazole
CID 122434619
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
5-phenanthren-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369811
4-benzo[c]phenanthren-5-yl-9-phenylcarbazole
CID 121287474
14-phenyl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-ol
CID 171575583
9-phenyl-3-[8-(9-phenylcarbazol-4-yl)fluoranthen-3-yl]carbazole
CID 122434651
9-phenyl-3-(9-phenylcarbazol-3-yl)-5-[4-(4-phenylphenyl)phenyl]carbazole
CID 134369783
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
9-phenyl-6-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-3-ol
CID 142356795
5,9-diphenyl-3-(9-phenylcarbazol-3-yl)carbazole;5-phenyl-3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160685377
9-phenyl-5-(4-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]carbazol-3-yl]carbazole
CID 170073009

Frequently Asked Questions

What is the IUPAC name of 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol?
The IUPAC name of 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol (CID 171053071) is 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol.
What is the SMILES notation for 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol?
The canonical SMILES for 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol is Oc1ccc2c(c1)c1c(-c3ccc4c5ccc(-c6cccc7c6c6cc(O)ccc6n7-c6ccccc6)c6cccc(c7cccc3c74)c65)cccc1n2-c1ccccc1.
What is the InChIKey of 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol?
The InChIKey is AHYHUSRGDOXYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O2/c59-35-23-29-49-47(31-35)55-41(19-9-21-51(55)57(49)33-11-3-1-4-12-33)37-25-27-45-46-28-26-38(40-16-8-18-44(54(40)46)43-17-7-15-39(37)53(43)45)42-20-10-22-52-56(42)48-32-36(60)24-30-50(48)58(52)34-13-5-2-6-14-34/h1-32,59-60H.
What are the key properties of 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol?
5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol has a molecular weight of 766.90 g/mol, XLogP of 14.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(6-hydroxy-9-phenylcarbazol-4-yl)perylen-3-yl]-9-phenylcarbazol-3-ol is sourced from PubChem (CID 171053071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).