CID 91288923

C20H12BN3 — CID 91288923

IUPAC—
SMILES[B]c1ccnc(-n2c3ccccc3c3c4ccccc4ccc32)n1
InChIInChI=1S/C20H12BN3/c21-18-11-12-22-20(23-18)24-16-8-4-3-7-15(16)19-14-6-2-1-5-13(14)9-10-17(19)24/h1-12H
InChIKeyUBLRFCAQDKUFBV-UHFFFAOYSA-N
MW305.15 g/mol
LogP3.52
Rot. Bonds1

About CID 91288923

CID 91288923 (PubChem CID 91288923) has the molecular formula C20H12BN3 and a molecular weight of 305.15 g/mol.

Molecular Properties

Compound NameCID 91288923
PubChem CID91288923
Molecular FormulaC20H12BN3
Molecular Weight305.15 g/mol
Exact Mass305.11
IUPAC Name—
SMILES[B]c1ccnc(-n2c3ccccc3c3c4ccccc4ccc32)n1
InChIInChI=1S/C20H12BN3/c21-18-11-12-22-20(23-18)24-16-8-4-3-7-15(16)19-14-6-2-1-5-13(14)9-10-17(19)24/h1-12H
InChIKeyUBLRFCAQDKUFBV-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 53.52
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

7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]benzo[c]carbazole
CID 70836995
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
7-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 166919043
9-pyridin-2-yl-9-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
CID 89017135
7-[4-(4-benzo[c]carbazol-7-ylphenyl)phenyl]benzo[c]carbazole
CID 20781618
9-phenyl-14-pyrimidin-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 58038360
9-naphthalen-1-yl-4-[3-(9-pyrimidin-2-ylcarbazol-3-yl)carbazol-9-yl]carbazole
CID 118487737
9,14-bis(4,6-diphenylpyrimidin-2-yl)-9,14-diazahexacyclo[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 70851555
9-(4-phenylpyrimidin-2-yl)-14-(5-phenylpyrimidin-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126755686
4-benzo[c]carbazol-7-yl-N,N-bis(4-benzo[c]carbazol-7-ylphenyl)aniline
CID 59103397
7-(2-iodophenyl)benzo[c]carbazole
CID 165179715
7-(5-pyridin-3-yl-2-pyridinyl)benzo[c]carbazole
CID 90250027

Frequently Asked Questions

What is the IUPAC name of CID 91288923?
The IUPAC name of CID 91288923 (CID 91288923) is not available.
What is the SMILES notation for CID 91288923?
The canonical SMILES for CID 91288923 is [B]c1ccnc(-n2c3ccccc3c3c4ccccc4ccc32)n1.
What is the InChIKey of CID 91288923?
The InChIKey is UBLRFCAQDKUFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BN3/c21-18-11-12-22-20(23-18)24-16-8-4-3-7-15(16)19-14-6-2-1-5-13(14)9-10-17(19)24/h1-12H.
What are the key properties of CID 91288923?
CID 91288923 has a molecular weight of 305.15 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91288923 is sourced from PubChem (CID 91288923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).