CID 144565190

C62H55N3Si- — CID 144565190

IUPAC—
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(N6c7ccccc7C(C)(C)c7ccccc76)c5)ccc3n4-c3ccc([Si-](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C62H55N3Si/c1-42-22-28-48(29-23-42)63(49-30-24-43(2)25-31-49)51-16-12-14-44(38-51)46-26-36-58-54(40-46)55-41-47(27-37-59(55)64(58)50-32-34-53(35-33-50)66(5,6)7)45-15-13-17-52(39-45)65-60-20-10-8-18-56(60)62(3,4)57-19-9-11-21-61(57)65/h8-41H,1-7H3/q-1
InChIKeyLNLAHTMBPCBUCD-UHFFFAOYSA-N
MW870.23 g/mol
LogP16.86
Rot. Bonds8

About CID 144565190

CID 144565190 (PubChem CID 144565190) has the molecular formula C62H55N3Si- and a molecular weight of 870.23 g/mol.

Molecular Properties

Compound NameCID 144565190
PubChem CID144565190
Molecular FormulaC62H55N3Si-
Molecular Weight870.23 g/mol
Exact Mass869.42
IUPAC Name—
SMILESCc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(N6c7ccccc7C(C)(C)c7ccccc76)c5)ccc3n4-c3ccc([Si-](C)(C)C)cc3)c2)cc1
InChIInChI=1S/C62H55N3Si/c1-42-22-28-48(29-23-42)63(49-30-24-43(2)25-31-49)51-16-12-14-44(38-51)46-26-36-58-54(40-46)55-41-47(27-37-59(55)64(58)50-32-34-53(35-33-50)66(5,6)7)45-15-13-17-52(39-45)65-60-20-10-8-18-56(60)62(3,4)57-19-9-11-21-61(57)65/h8-41H,1-7H3/q-1
InChIKeyLNLAHTMBPCBUCD-UHFFFAOYSA-N
XLogP16.86
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500870.23
LogP ≤ 516.86
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

N-[4-(9,9-dimethyl-10-phenylacridin-3-yl)phenyl]-N,3-diphenylaniline
CID 121258973
2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 121259166
N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
N-[4-[9,9-dimethyl-10-(4-phenylphenyl)acridin-2-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline
CID 89457849
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]aniline
CID 90201353
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]aniline
CID 90201363
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline;2-(9,9-dimethyl-10-phenylacridin-3-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N,N,9,9,10-pentakis-phenylacridin-3-amine;9,9,10-triphenyl-N,N-bis(4-phenylphenyl)acridin-3-amine
CID 159220979
4-(9,9-dimethyl-10-phenylacridin-3-yl)-N,N-diphenylaniline
CID 121258967
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-methyl-N,9-bis(4-methylphenyl)carbazol-3-amine
CID 58383998
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540

Frequently Asked Questions

What is the IUPAC name of CID 144565190?
The IUPAC name of CID 144565190 (CID 144565190) is not available.
What is the SMILES notation for CID 144565190?
The canonical SMILES for CID 144565190 is Cc1ccc(N(c2ccc(C)cc2)c2cccc(-c3ccc4c(c3)c3cc(-c5cccc(N6c7ccccc7C(C)(C)c7ccccc76)c5)ccc3n4-c3ccc([Si-](C)(C)C)cc3)c2)cc1.
What is the InChIKey of CID 144565190?
The InChIKey is LNLAHTMBPCBUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H55N3Si/c1-42-22-28-48(29-23-42)63(49-30-24-43(2)25-31-49)51-16-12-14-44(38-51)46-26-36-58-54(40-46)55-41-47(27-37-59(55)64(58)50-32-34-53(35-33-50)66(5,6)7)45-15-13-17-52(39-45)65-60-20-10-8-18-56(60)62(3,4)57-19-9-11-21-61(57)65/h8-41H,1-7H3/q-1.
What are the key properties of CID 144565190?
CID 144565190 has a molecular weight of 870.23 g/mol, XLogP of 16.86, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144565190 is sourced from PubChem (CID 144565190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).