CID 89098360

C43H30BN — CID 89098360

IUPAC—
SMILES[B]c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)ccc1-2
InChIInChI=1S/C43H30BN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-10,12-18,20-28H,11,19H2
InChIKeyGIXIJFGPBNLOEY-UHFFFAOYSA-N
MW571.53 g/mol
LogP9.41
Rot. Bonds4

About CID 89098360

CID 89098360 (PubChem CID 89098360) has the molecular formula C43H30BN and a molecular weight of 571.53 g/mol.

Molecular Properties

Compound NameCID 89098360
PubChem CID89098360
Molecular FormulaC43H30BN
Molecular Weight571.53 g/mol
Exact Mass571.25
IUPAC Name—
SMILES[B]c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)ccc1-2
InChIInChI=1S/C43H30BN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-10,12-18,20-28H,11,19H2
InChIKeyGIXIJFGPBNLOEY-UHFFFAOYSA-N
XLogP9.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.53
LogP ≤ 59.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,9-diphenyl-6-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 144650120
9-(9,9-dimethylfluoren-2-yl)-3-(9-phenyl-7,8-dihydrocarbazol-3-yl)carbazole
CID 146564352
6-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenyl-1,2-dihydrocarbazole
CID 67678813
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(9-phenyl-7,8-dihydrocarbazol-3-yl)phenyl]fluoren-2-amine
CID 122546847
3-[4-[9,9-diphenyl-7-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 89118693
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 67950571
(7Z,8E)-N-[4-[4-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-7,8-di(ethylidene)-N-(7,9,9-triphenylfluoren-2-yl)quinolin-3-amine;ethane
CID 145452364
17,17,34,34-tetramethyl-13,30-diphenyl-13,30-diazanonacyclo[18.14.0.03,18.04,16.06,14.07,12.021,33.023,31.024,29]tetratriaconta-1(20),2,4(16),5,7(12),8,14,18,21(33),22,24(29),25,31-tridecaene
CID 70919345
10,10-diphenyl-3-[3-(5-phenyl-9,10-dihydroindolo[2,3-c]phenoxazin-8-yl)phenyl]anthracen-9-one
CID 142288778
3-[4-[(E)-2-[4-[9,9-diphenyl-7-[4-[(E)-2-[4-(9-phenylcarbazol-3-yl)phenyl]ethenyl]phenyl]fluoren-2-yl]phenyl]ethenyl]phenyl]-9-phenylcarbazole
CID 59236586

Frequently Asked Questions

What is the IUPAC name of CID 89098360?
The IUPAC name of CID 89098360 (CID 89098360) is not available.
What is the SMILES notation for CID 89098360?
The canonical SMILES for CID 89098360 is [B]c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCC=C3)ccc1-2.
What is the InChIKey of CID 89098360?
The InChIKey is GIXIJFGPBNLOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30BN/c44-33-22-24-36-35-23-20-30(27-39(35)43(40(36)28-33,31-12-4-1-5-13-31)32-14-6-2-7-15-32)29-21-25-42-38(26-29)37-18-10-11-19-41(37)45(42)34-16-8-3-9-17-34/h1-10,12-18,20-28H,11,19H2.
What are the key properties of CID 89098360?
CID 89098360 has a molecular weight of 571.53 g/mol, XLogP of 9.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89098360 is sourced from PubChem (CID 89098360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).