CID 23522312

C56H42Al2N4O4 — CID 23522312

IUPAC—
SMILESCc1ccc2cccc(O[Al]Oc3cccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc(O[Al]Oc7cccc8ccc(C)nc78)c6)cc5)cc4)c3)c2n1
InChIInChI=1S/C36H28N2O2.2C10H9NO.2Al/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-26,39-40H;2*2-6,12H,1H3;;/q;;;2*+2/p-4
InChIKeyIIGYSFUTYCZKKN-UHFFFAOYSA-J
MW888.94 g/mol
LogP13.99
Rot. Bonds15

About CID 23522312

CID 23522312 (PubChem CID 23522312) has the molecular formula C56H42Al2N4O4 and a molecular weight of 888.94 g/mol.

Molecular Properties

Compound NameCID 23522312
PubChem CID23522312
Molecular FormulaC56H42Al2N4O4
Molecular Weight888.94 g/mol
Exact Mass888.28
IUPAC Name—
SMILESCc1ccc2cccc(O[Al]Oc3cccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc(O[Al]Oc7cccc8ccc(C)nc78)c6)cc5)cc4)c3)c2n1
InChIInChI=1S/C36H28N2O2.2C10H9NO.2Al/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-26,39-40H;2*2-6,12H,1H3;;/q;;;2*+2/p-4
InChIKeyIIGYSFUTYCZKKN-UHFFFAOYSA-J
XLogP13.99
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500888.94
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-(3-methoxy-N-methylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 59431830
N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 165040481
2-N,6-N,6-N-triphenyl-2-N-(4-phenylphenyl)naphthalene-2,6-diamine
CID 166917050
N-[4-[4-[3-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 121327966
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 161230794
N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 59029881
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;3-methoxy-N-[4-[4-(N-(3-methoxyphenyl)anilino)phenyl]phenyl]-N-phenylaniline;N-[4-[4-(N-(4-methoxyphenyl)anilino)phenyl]phenyl]-4-methyl-N-phenylaniline;hydrate
CID 161136163

Frequently Asked Questions

What is the IUPAC name of CID 23522312?
The IUPAC name of CID 23522312 (CID 23522312) is not available.
What is the SMILES notation for CID 23522312?
The canonical SMILES for CID 23522312 is Cc1ccc2cccc(O[Al]Oc3cccc(N(c4ccccc4)c4ccc(-c5ccc(N(c6ccccc6)c6cccc(O[Al]Oc7cccc8ccc(C)nc78)c6)cc5)cc4)c3)c2n1.
What is the InChIKey of CID 23522312?
The InChIKey is IIGYSFUTYCZKKN-UHFFFAOYSA-J. The full InChI is InChI=1S/C36H28N2O2.2C10H9NO.2Al/c39-35-15-7-13-33(25-35)37(29-9-3-1-4-10-29)31-21-17-27(18-22-31)28-19-23-32(24-20-28)38(30-11-5-2-6-12-30)34-14-8-16-36(40)26-34;2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;;/h1-26,39-40H;2*2-6,12H,1H3;;/q;;;2*+2/p-4.
What are the key properties of CID 23522312?
CID 23522312 has a molecular weight of 888.94 g/mol, XLogP of 13.99, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23522312 is sourced from PubChem (CID 23522312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).