CID 177209623

C36H20BNO2 — CID 177209623

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C36H20BNO2/c37-23-11-14-32-28(19-23)27-17-21(22-10-15-35-29(18-22)25-5-1-3-7-33(25)39-35)9-13-31(27)38(32)24-12-16-36-30(20-24)26-6-2-4-8-34(26)40-36/h1-20H
InChIKeyUIUNVMRKDNEMPO-UHFFFAOYSA-N
MW509.37 g/mol
LogP9.04
Rot. Bonds2

About CID 177209623

CID 177209623 (PubChem CID 177209623) has the molecular formula C36H20BNO2 and a molecular weight of 509.37 g/mol.

Molecular Properties

Compound NameCID 177209623
PubChem CID177209623
Molecular FormulaC36H20BNO2
Molecular Weight509.37 g/mol
Exact Mass509.16
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C36H20BNO2/c37-23-11-14-32-28(19-23)27-17-21(22-10-15-35-29(18-22)25-5-1-3-7-33(25)39-35)9-13-31(27)38(32)24-12-16-36-30(20-24)26-6-2-4-8-34(26)40-36/h1-20H
InChIKeyUIUNVMRKDNEMPO-UHFFFAOYSA-N
XLogP9.04
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.37
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-dibenzofuran-2-yl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 118488369
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
9-dibenzofuran-2-yl-3-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 123818422
CID 90291993
CID 90291993
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
9-[8-[8-(8-carbazol-9-yldibenzofuran-2-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]carbazole
CID 59348295
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299

Frequently Asked Questions

What is the IUPAC name of CID 177209623?
The IUPAC name of CID 177209623 (CID 177209623) is not available.
What is the SMILES notation for CID 177209623?
The canonical SMILES for CID 177209623 is [B]c1ccc2c(c1)c1cc(-c3ccc4oc5ccccc5c4c3)ccc1n2-c1ccc2oc3ccccc3c2c1.
What is the InChIKey of CID 177209623?
The InChIKey is UIUNVMRKDNEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20BNO2/c37-23-11-14-32-28(19-23)27-17-21(22-10-15-35-29(18-22)25-5-1-3-7-33(25)39-35)9-13-31(27)38(32)24-12-16-36-30(20-24)26-6-2-4-8-34(26)40-36/h1-20H.
What are the key properties of CID 177209623?
CID 177209623 has a molecular weight of 509.37 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177209623 is sourced from PubChem (CID 177209623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).