CID 174150973

C48H15B15N2O — CID 174150973

IUPAC—
SMILES[B]c1c([B])c([B])c(-c2c([B])c([B])c([B])c(-c3c([B])c([B])c4oc5c([B])c([B])c([B])c([B])c5c4c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[B])c([B])c1[B]
InChIInChI=1S/C48H15B15N2O/c49-31-25(26-33(51)39(57)42(60)40(58)34(26)52)32(50)38(56)35(53)27(31)28-36(54)44(62)48-30(29-37(55)41(59)43(61)45(63)47(29)66-48)46(28)65-23-12-6-3-9-19(23)20-15-16(13-14-24(20)65)64-21-10-4-1-7-17(21)18-8-2-5-11-22(18)64/h1-15H
InChIKeyHGFSBLPOBSJUTB-UHFFFAOYSA-N
MW797.84 g/mol
LogP-4.98
Rot. Bonds4

About CID 174150973

CID 174150973 (PubChem CID 174150973) has the molecular formula C48H15B15N2O and a molecular weight of 797.84 g/mol.

Molecular Properties

Compound NameCID 174150973
PubChem CID174150973
Molecular FormulaC48H15B15N2O
Molecular Weight797.84 g/mol
Exact Mass800.26
IUPAC Name—
SMILES[B]c1c([B])c([B])c(-c2c([B])c([B])c([B])c(-c3c([B])c([B])c4oc5c([B])c([B])c([B])c([B])c5c4c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[B])c([B])c1[B]
InChIInChI=1S/C48H15B15N2O/c49-31-25(26-33(51)39(57)42(60)40(58)34(26)52)32(50)38(56)35(53)27(31)28-36(54)44(62)48-30(29-37(55)41(59)43(61)45(63)47(29)66-48)46(28)65-23-12-6-3-9-19(23)20-15-16(13-14-24(20)65)64-21-10-4-1-7-17(21)18-8-2-5-11-22(18)64/h1-15H
InChIKeyHGFSBLPOBSJUTB-UHFFFAOYSA-N
XLogP-4.98
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500797.84
LogP ≤ 5-4.98
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

CID 177209663
CID 177209663
CID 169131814
CID 169131814
6-phenyl-24-(9-phenylcarbazol-3-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736677
CID 178110279
CID 178110279
CID 176994496
CID 176994496
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
3-carbazol-9-yl-9-phenylcarbazole;ethane
CID 145117169
CID 174095915
CID 174095915
2-carbazol-9-yl-9-(9-triphenylen-2-ylcarbazol-3-yl)carbazole
CID 121274428
9-(16-carbazol-9-yl-11,12-dimethyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14(19),15,17-nonaen-7-yl)carbazole
CID 59147144

Frequently Asked Questions

What is the IUPAC name of CID 174150973?
The IUPAC name of CID 174150973 (CID 174150973) is not available.
What is the SMILES notation for CID 174150973?
The canonical SMILES for CID 174150973 is [B]c1c([B])c([B])c(-c2c([B])c([B])c([B])c(-c3c([B])c([B])c4oc5c([B])c([B])c([B])c([B])c5c4c3-n3c4ccccc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)c2[B])c([B])c1[B].
What is the InChIKey of CID 174150973?
The InChIKey is HGFSBLPOBSJUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H15B15N2O/c49-31-25(26-33(51)39(57)42(60)40(58)34(26)52)32(50)38(56)35(53)27(31)28-36(54)44(62)48-30(29-37(55)41(59)43(61)45(63)47(29)66-48)46(28)65-23-12-6-3-9-19(23)20-15-16(13-14-24(20)65)64-21-10-4-1-7-17(21)18-8-2-5-11-22(18)64/h1-15H.
What are the key properties of CID 174150973?
CID 174150973 has a molecular weight of 797.84 g/mol, XLogP of -4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174150973 is sourced from PubChem (CID 174150973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).