CID 144976472

C29H19BN2 — CID 144976472

IUPAC—
SMILES[B]c1cccc2c1c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C29H19BN2/c30-24-15-9-17-27-29(24)23-14-7-8-16-26(23)32(27)28-19-22(20-10-3-1-4-11-20)18-25(31-28)21-12-5-2-6-13-21/h1-19H
InChIKeyMGYIUNDAOXTGNH-UHFFFAOYSA-N
MW406.30 g/mol
LogP6.31
Rot. Bonds3

About CID 144976472

CID 144976472 (PubChem CID 144976472) has the molecular formula C29H19BN2 and a molecular weight of 406.30 g/mol.

Molecular Properties

Compound NameCID 144976472
PubChem CID144976472
Molecular FormulaC29H19BN2
Molecular Weight406.30 g/mol
Exact Mass406.16
IUPAC Name—
SMILES[B]c1cccc2c1c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1
InChIInChI=1S/C29H19BN2/c30-24-15-9-17-27-29(24)23-14-7-8-16-26(23)32(27)28-19-22(20-10-3-1-4-11-20)18-25(31-28)21-12-5-2-6-13-21/h1-19H
InChIKeyMGYIUNDAOXTGNH-UHFFFAOYSA-N
XLogP6.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.30
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 144976694
CID 144976694
2-phenyl-6-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]thieno[3,2-c]carbazole
CID 118228358
12-(4-carbazol-9-ylphenyl)-5-(4,6-diphenyl-2-pyridinyl)indolo[3,2-c]carbazole
CID 144650064
9-[6-[6-[6-[6-carbazol-9-yl-4-(3-phenylphenyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-4-(3-phenylphenyl)-2-pyridinyl]carbazole
CID 165167516
9-(4,6-diphenyl-2-pyridinyl)-3-methylcarbazole;ethane
CID 144875865
5-[4-(3-phenylphenyl)phenyl]-11-[6-phenyl-4-(4-phenylphenyl)-2-pyridinyl]indolo[3,2-b]carbazole
CID 121385503
25-[4,6-bis(3-phenylphenyl)-2-pyridinyl]-2,25-diazaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.019,24]octacosa-1(17),3,5,7,9,11,13,15,18(26),19,21,23,27-tridecaene
CID 90432268
6-(4,6-diphenyl-2-pyridinyl)-2,3-diphenylthieno[3,2-c]carbazole
CID 118227971
22-(4,6-diphenyl-2-pyridinyl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene;prop-1-ene
CID 145105417
9-[6-[6-(6-carbazol-9-yl-2-pyridinyl)-4-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]carbazole
CID 165167552
9,14-bis[6-(3,5-diphenylphenyl)-2-pyridinyl]-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 58570081
2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-2-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 71286771

Frequently Asked Questions

What is the IUPAC name of CID 144976472?
The IUPAC name of CID 144976472 (CID 144976472) is not available.
What is the SMILES notation for CID 144976472?
The canonical SMILES for CID 144976472 is [B]c1cccc2c1c1ccccc1n2-c1cc(-c2ccccc2)cc(-c2ccccc2)n1.
What is the InChIKey of CID 144976472?
The InChIKey is MGYIUNDAOXTGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BN2/c30-24-15-9-17-27-29(24)23-14-7-8-16-26(23)32(27)28-19-22(20-10-3-1-4-11-20)18-25(31-28)21-12-5-2-6-13-21/h1-19H.
What are the key properties of CID 144976472?
CID 144976472 has a molecular weight of 406.30 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144976472 is sourced from PubChem (CID 144976472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).