CID 89272647

C30H26BN — CID 89272647

IUPAC—
SMILES[B]c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(N)ccc3-4)ccc1-2
InChIInChI=1S/C30H26BN/c1-29(2)25-13-17(5-9-21(25)23-11-7-19(31)15-27(23)29)18-6-10-22-24-12-8-20(32)16-28(24)30(3,4)26(22)14-18/h5-16H,32H2,1-4H3
InChIKeyMVBZQGWOMCXMQQ-UHFFFAOYSA-N
MW411.36 g/mol
LogP6.34
Rot. Bonds1

About CID 89272647

CID 89272647 (PubChem CID 89272647) has the molecular formula C30H26BN and a molecular weight of 411.36 g/mol.

Molecular Properties

Compound NameCID 89272647
PubChem CID89272647
Molecular FormulaC30H26BN
Molecular Weight411.36 g/mol
Exact Mass411.22
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(N)ccc3-4)ccc1-2
InChIInChI=1S/C30H26BN/c1-29(2)25-13-17(5-9-21(25)23-11-7-19(31)15-27(23)29)18-6-10-22-24-12-8-20(32)16-28(24)30(3,4)26(22)14-18/h5-16H,32H2,1-4H3
InChIKeyMVBZQGWOMCXMQQ-UHFFFAOYSA-N
XLogP6.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.36
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 143619792
CID 143619792
9,9-dimethylfluorene-2,6-diamine
CID 156512652
7-(4-anilinophenyl)-9,9-dimethylfluoren-2-amine
CID 142967651
9,9-dimethylfluoren-2-amine;sulfane
CID 142283327
9,9-dimethyl-7-naphthalen-1-ylfluoren-2-amine
CID 121321735
2-fluoro-6,6,12,12-tetramethylindeno[1,2-b]fluoren-8-amine
CID 59742364
4-[7-(4-hydroxyphenyl)-9,9-dimethylfluoren-2-yl]phenol
CID 18714128
2,7-bis(3,5-diphenylphenyl)-9,9-dimethylfluorene
CID 59217114
2-[3,5-bis[7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-7-[7-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 101336380
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913
2,7-bis[3,5-bis[3,5-bis(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-9,9-dimethylfluorene
CID 58881238
5,16-bis(3,5-dimethylphenyl)-8,8,13,13-tetramethylhexacyclo[10.10.2.02,7.09,23.014,19.020,24]tetracosa-1(23),2(7),3,5,9,11,14(19),15,17,20(24),21-undecaene
CID 59181920

Frequently Asked Questions

What is the IUPAC name of CID 89272647?
The IUPAC name of CID 89272647 (CID 89272647) is not available.
What is the SMILES notation for CID 89272647?
The canonical SMILES for CID 89272647 is [B]c1ccc2c(c1)C(C)(C)c1cc(-c3ccc4c(c3)C(C)(C)c3cc(N)ccc3-4)ccc1-2.
What is the InChIKey of CID 89272647?
The InChIKey is MVBZQGWOMCXMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26BN/c1-29(2)25-13-17(5-9-21(25)23-11-7-19(31)15-27(23)29)18-6-10-22-24-12-8-20(32)16-28(24)30(3,4)26(22)14-18/h5-16H,32H2,1-4H3.
What are the key properties of CID 89272647?
CID 89272647 has a molecular weight of 411.36 g/mol, XLogP of 6.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89272647 is sourced from PubChem (CID 89272647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).