CID 162692174

C40H28BN2O2 — CID 162692174

IUPAC—
SMILESO[B]Oc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H28BN2O2/c44-41-45-36-23-20-33(21-24-36)42(32-17-14-30(15-18-32)28-8-2-1-3-9-28)35-22-25-40-38(27-35)37-12-6-7-13-39(37)43(40)34-19-16-29-10-4-5-11-31(29)26-34/h1-27,44H
InChIKeyXPZVBPXDQNIXIY-UHFFFAOYSA-N
MW579.49 g/mol
LogP9.98
Rot. Bonds7

About CID 162692174

CID 162692174 (PubChem CID 162692174) has the molecular formula C40H28BN2O2 and a molecular weight of 579.49 g/mol.

Molecular Properties

Compound NameCID 162692174
PubChem CID162692174
Molecular FormulaC40H28BN2O2
Molecular Weight579.49 g/mol
Exact Mass579.22
IUPAC Name—
SMILESO[B]Oc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C40H28BN2O2/c44-41-45-36-23-20-33(21-24-36)42(32-17-14-30(15-18-32)28-8-2-1-3-9-28)35-22-25-40-38(27-35)37-12-6-7-13-39(37)43(40)34-19-16-29-10-4-5-11-31(29)26-34/h1-27,44H
InChIKeyXPZVBPXDQNIXIY-UHFFFAOYSA-N
XLogP9.98
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.49
LogP ≤ 59.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N-[4-(6-carbazol-9-ylnaphthalen-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 142727938
N-[4-(5-naphthalen-2-ylindolo[3,2-c]carbazol-12-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 145273395
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381
N-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 174258329
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
N-(4-methoxyphenyl)-N-[4-[4-(4-methoxy-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 58651978
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)aniline;N-(4-carbazol-9-ylphenyl)-4-naphthalen-2-yl-N-phenylaniline;N-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 165047575
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145

Frequently Asked Questions

What is the IUPAC name of CID 162692174?
The IUPAC name of CID 162692174 (CID 162692174) is not available.
What is the SMILES notation for CID 162692174?
The canonical SMILES for CID 162692174 is O[B]Oc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc3ccccc3c2)cc1.
What is the InChIKey of CID 162692174?
The InChIKey is XPZVBPXDQNIXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28BN2O2/c44-41-45-36-23-20-33(21-24-36)42(32-17-14-30(15-18-32)28-8-2-1-3-9-28)35-22-25-40-38(27-35)37-12-6-7-13-39(37)43(40)34-19-16-29-10-4-5-11-31(29)26-34/h1-27,44H.
What are the key properties of CID 162692174?
CID 162692174 has a molecular weight of 579.49 g/mol, XLogP of 9.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162692174 is sourced from PubChem (CID 162692174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).