4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol

C49H36N2O2 — CID 163674729

IUPAC4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol
SMILESCC1c2c(n(-c3cc(-c4ccc(O)cc4)cc(-c4ccc(O)cc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C49H36N2O2/c1-31-41(34-19-25-47-44(30-34)42-11-5-7-13-45(42)50(47)37-9-3-2-4-10-37)24-26-48-49(31)43-12-6-8-14-46(43)51(48)38-28-35(32-15-20-39(52)21-16-32)27-36(29-38)33-17-22-40(53)23-18-33/h2-31,41,52-53H,1H3
InChIKeyJFQZYUCIAFBHJR-UHFFFAOYSA-N
MW684.84 g/mol
LogP12.39
Rot. Bonds5

About 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol

4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol (PubChem CID 163674729) has the molecular formula C49H36N2O2 and a molecular weight of 684.84 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol
PubChem CID163674729
Molecular FormulaC49H36N2O2
Molecular Weight684.84 g/mol
Exact Mass684.28
IUPAC Name4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol
SMILESCC1c2c(n(-c3cc(-c4ccc(O)cc4)cc(-c4ccc(O)cc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/C49H36N2O2/c1-31-41(34-19-25-47-44(30-34)42-11-5-7-13-45(42)50(47)37-9-3-2-4-10-37)24-26-48-49(31)43-12-6-8-14-46(43)51(48)38-28-35(32-15-20-39(52)21-16-32)27-36(29-38)33-17-22-40(53)23-18-33/h2-31,41,52-53H,1H3
InChIKeyJFQZYUCIAFBHJR-UHFFFAOYSA-N
XLogP12.39
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 512.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol (CID 163674729) is 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol is CC1c2c(n(-c3cc(-c4ccc(O)cc4)cc(-c4ccc(O)cc4)c3)c3ccccc23)C=CC1c1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol?
The InChIKey is JFQZYUCIAFBHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H36N2O2/c1-31-41(34-19-25-47-44(30-34)42-11-5-7-13-45(42)50(47)37-9-3-2-4-10-37)24-26-48-49(31)43-12-6-8-14-46(43)51(48)38-28-35(32-15-20-39(52)21-16-32)27-36(29-38)33-17-22-40(53)23-18-33/h2-31,41,52-53H,1H3.
What are the key properties of 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol?
4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol has a molecular weight of 684.84 g/mol, XLogP of 12.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-5-[4-methyl-3-(9-phenylcarbazol-3-yl)-3,4-dihydrocarbazol-9-yl]phenyl]phenol is sourced from PubChem (CID 163674729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).