CID 166012551

C61H42NOSi2 — CID 166012551

IUPAC—
SMILESc1ccc(N(c2ccc3c(c2)[Si](c2ccccc2)c2ccccc2[Si]32c3ccccc3Oc3ccccc32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H42NOSi2/c1-5-21-43(22-6-1)61(44-23-7-2-8-24-44)51-30-14-13-29-49(51)50-39-37-46(41-52(50)61)62(45-25-9-3-10-26-45)47-38-40-60-56(42-47)64(48-27-11-4-12-28-48)55-33-17-20-36-59(55)65(60)57-34-18-15-31-53(57)63-54-32-16-19-35-58(54)65/h1-42H
InChIKeyPCZUFUKSAKJTRQ-UHFFFAOYSA-N
MW861.19 g/mol
LogP9.83
Rot. Bonds6

About CID 166012551

CID 166012551 (PubChem CID 166012551) has the molecular formula C61H42NOSi2 and a molecular weight of 861.19 g/mol.

Molecular Properties

Compound NameCID 166012551
PubChem CID166012551
Molecular FormulaC61H42NOSi2
Molecular Weight861.19 g/mol
Exact Mass860.28
IUPAC Name—
SMILESc1ccc(N(c2ccc3c(c2)[Si](c2ccccc2)c2ccccc2[Si]32c3ccccc3Oc3ccccc32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C61H42NOSi2/c1-5-21-43(22-6-1)61(44-23-7-2-8-24-44)51-30-14-13-29-49(51)50-39-37-46(41-52(50)61)62(45-25-9-3-10-26-45)47-38-40-60-56(42-47)64(48-27-11-4-12-28-48)55-33-17-20-36-59(55)65(60)57-34-18-15-31-53(57)63-54-32-16-19-35-58(54)65/h1-42H
InChIKeyPCZUFUKSAKJTRQ-UHFFFAOYSA-N
XLogP9.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.19
LogP ≤ 59.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(9,9-diphenylfluoren-2-yl)-N,5,5-triphenylspiro[benzo[b][1]benzosiline-10,9'-xanthene]-3-amine
CID 152880962
1-N,3-N,5-N-tris(9,9-diphenylfluoren-2-yl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 132601190
N,9,9-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]xanthen-2-amine
CID 166679205
N-(9,9-diphenylfluoren-2-yl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477449
N,9,9-triphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 86198899
N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 167176947
N-naphthalen-1-yl-N-[4-(9-phenylfluoren-9-yl)phenyl]spiro[benzo[b][1,4]benzoxasiline-10,5'-benzo[b][1]benzosilole]-3'-amine
CID 152799097
N-phenyl-3-(9-phenylfluoren-9-yl)-N-[3-(9-phenylxanthen-9-yl)phenyl]aniline
CID 166679392
N-(4-chlorophenyl)-N,9,9-triphenylfluoren-2-amine
CID 139762369
9,9-diphenyl-N-(4-phenylphenyl)-N-[3-[3-(9-phenylxanthen-9-yl)phenyl]phenyl]fluoren-2-amine
CID 90154251
N-(9,9-diphenylfluoren-2-yl)-N,2',3'-triphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240655
N-(9,9-diphenylfluoren-2-yl)-9,9-diphenyl-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 118298160

Frequently Asked Questions

What is the IUPAC name of CID 166012551?
The IUPAC name of CID 166012551 (CID 166012551) is not available.
What is the SMILES notation for CID 166012551?
The canonical SMILES for CID 166012551 is c1ccc(N(c2ccc3c(c2)[Si](c2ccccc2)c2ccccc2[Si]32c3ccccc3Oc3ccccc32)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of CID 166012551?
The InChIKey is PCZUFUKSAKJTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42NOSi2/c1-5-21-43(22-6-1)61(44-23-7-2-8-24-44)51-30-14-13-29-49(51)50-39-37-46(41-52(50)61)62(45-25-9-3-10-26-45)47-38-40-60-56(42-47)64(48-27-11-4-12-28-48)55-33-17-20-36-59(55)65(60)57-34-18-15-31-53(57)63-54-32-16-19-35-58(54)65/h1-42H.
What are the key properties of CID 166012551?
CID 166012551 has a molecular weight of 861.19 g/mol, XLogP of 9.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166012551 is sourced from PubChem (CID 166012551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).