trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane

C42H42N2Si2 — CID 148605832

IUPACtrimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane
SMILESC[Si](C)(C)C1=Cc2c(n(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc([Si](C)(C)C)ccc54)c3)c3ccccc23)CC1
InChIInChI=1S/C42H42N2Si2/c1-45(2,3)33-20-22-41-37(27-33)35-16-10-12-18-39(35)43(41)31-24-30(29-14-8-7-9-15-29)25-32(26-31)44-40-19-13-11-17-36(40)38-28-34(46(4,5)6)21-23-42(38)44/h7-20,22,24-28H,21,23H2,1-6H3
InChIKeyNDJOXYMQQUZAED-UHFFFAOYSA-N
MW630.98 g/mol
LogP11.15
Rot. Bonds5

About trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane

trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane (PubChem CID 148605832) has the molecular formula C42H42N2Si2 and a molecular weight of 630.98 g/mol. Its IUPAC name is trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane.

Molecular Properties

Compound Nametrimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane
PubChem CID148605832
Molecular FormulaC42H42N2Si2
Molecular Weight630.98 g/mol
Exact Mass630.29
IUPAC Nametrimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane
SMILESC[Si](C)(C)C1=Cc2c(n(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc([Si](C)(C)C)ccc54)c3)c3ccccc23)CC1
InChIInChI=1S/C42H42N2Si2/c1-45(2,3)33-20-22-41-37(27-33)35-16-10-12-18-39(35)43(41)31-24-30(29-14-8-7-9-15-29)25-32(26-31)44-40-19-13-11-17-36(40)38-28-34(46(4,5)6)21-23-42(38)44/h7-20,22,24-28H,21,23H2,1-6H3
InChIKeyNDJOXYMQQUZAED-UHFFFAOYSA-N
XLogP11.15
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.98
LogP ≤ 511.15
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

ethyl-[9-[3-[3-[ethyl(dimethyl)silyl]carbazol-9-yl]-5-phenylphenyl]carbazol-3-yl]-dimethylsilane
CID 59399853
9-[3,5-bis(3-phenylcarbazol-9-yl)phenyl]-3-phenylcarbazole
CID 59399106
9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
[4-[3-carbazol-9-yl-5-[3-(2,6-dimethylphenyl)carbazol-9-yl]phenyl]phenyl]-triphenylsilane
CID 89027796
[4-[3-[9-[4-(4,6-diphenyl-2-pyridinyl)phenyl]carbazol-3-yl]carbazol-9-yl]phenyl]-trimethylsilane
CID 71286923
trimethyl-[9-(2-phenylphenyl)carbazol-3-yl]silane
CID 175089123
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
trimethyl-[9-(9-phenylcarbazol-2-yl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123744024
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-phenyl-2-(9-phenylcarbazol-3-yl)-7-(9-phenyl-1,2-dihydrocarbazol-3-yl)carbazole
CID 163966480
trimethyl-[9-(9-phenylcarbazol-3-yl)-7-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]silane
CID 123575864
3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 161445204

Frequently Asked Questions

What is the IUPAC name of trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane?
The IUPAC name of trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane (CID 148605832) is trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane.
What is the SMILES notation for trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane?
The canonical SMILES for trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane is C[Si](C)(C)C1=Cc2c(n(-c3cc(-c4ccccc4)cc(-n4c5ccccc5c5cc([Si](C)(C)C)ccc54)c3)c3ccccc23)CC1.
What is the InChIKey of trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane?
The InChIKey is NDJOXYMQQUZAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42N2Si2/c1-45(2,3)33-20-22-41-37(27-33)35-16-10-12-18-39(35)43(41)31-24-30(29-14-8-7-9-15-29)25-32(26-31)44-40-19-13-11-17-36(40)38-28-34(46(4,5)6)21-23-42(38)44/h7-20,22,24-28H,21,23H2,1-6H3.
What are the key properties of trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane?
trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane has a molecular weight of 630.98 g/mol, XLogP of 11.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[9-[3-phenyl-5-(3-trimethylsilylcarbazol-9-yl)phenyl]-1,2-dihydrocarbazol-3-yl]silane is sourced from PubChem (CID 148605832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).