5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine

C48H49N3Si2 — CID 174084078

IUPAC5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)[nH]c2cc(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C48H49N3Si2/c1-33-13-17-35(18-14-33)50(36-21-26-40(27-22-36)52(3,4)5)39-25-30-44-45(31-39)49-46-32-47(42-11-9-10-12-43(42)48(44)46)51(37-19-15-34(2)16-20-37)38-23-28-41(29-24-38)53(6,7)8/h9-32,49H,1-8H3
InChIKeyJMJYLCBOUOTBJQ-UHFFFAOYSA-N
MW724.11 g/mol
LogP13.12
Rot. Bonds8

About 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine

5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine (PubChem CID 174084078) has the molecular formula C48H49N3Si2 and a molecular weight of 724.11 g/mol. Its IUPAC name is 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine.

Molecular Properties

Compound Name5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine
PubChem CID174084078
Molecular FormulaC48H49N3Si2
Molecular Weight724.11 g/mol
Exact Mass723.35
IUPAC Name5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine
SMILESCc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)[nH]c2cc(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c23)cc1
InChIInChI=1S/C48H49N3Si2/c1-33-13-17-35(18-14-33)50(36-21-26-40(27-22-36)52(3,4)5)39-25-30-44-45(31-39)49-46-32-47(42-11-9-10-12-43(42)48(44)46)51(37-19-15-34(2)16-20-37)38-23-28-41(29-24-38)53(6,7)8/h9-32,49H,1-8H3
InChIKeyJMJYLCBOUOTBJQ-UHFFFAOYSA-N
XLogP13.12
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.11
LogP ≤ 513.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-(4-methylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098964
6-N,12-N-bis(4-methoxyphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098960
6-N,12-N-bis(3,5-diethylphenyl)-6-N-(4-methylphenyl)-12-N-(4-trimethylsilylphenyl)chrysene-6,12-diamine
CID 58098957
9-N,9-N,20-N,20-N-tetrakis(4-methylphenyl)hexacyclo[16.8.0.02,11.03,8.012,17.021,26]hexacosa-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25-tridecaene-9,20-diamine
CID 59805356
1-N,6-N-bis(4-methylphenyl)-3,8-di(propan-2-yl)-1-N,6-N-bis(4-trimethylsilylphenyl)pyrene-1,6-diamine
CID 88598753
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263216
5-N,5-N,18-N,18-N-tetrakis(4-methylphenyl)hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene-5,18-diamine
CID 89010641
4-N,20-N-diphenyl-4-N,20-N-bis(4-trimethylsilylphenyl)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 90263126
12-dibenzofuran-2-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487358
12-dibenzofuran-4-yl-9-N,15-N-bis(4-methylphenyl)-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487441
9-N,15-N-bis(3-methylphenyl)-12-naphthalen-1-yl-9-N,15-N-bis(4-trimethylsilylphenyl)-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 153487452
9-N,9-N,15-N,15-N-tetrakis(4-methylphenyl)-12,12-bis(trimethylsilyl)pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 140738096

Frequently Asked Questions

What is the IUPAC name of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine?
The IUPAC name of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine (CID 174084078) is 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine.
What is the SMILES notation for 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine?
The canonical SMILES for 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine is Cc1ccc(N(c2ccc([Si](C)(C)C)cc2)c2ccc3c(c2)[nH]c2cc(N(c4ccc(C)cc4)c4ccc([Si](C)(C)C)cc4)c4ccccc4c23)cc1.
What is the InChIKey of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine?
The InChIKey is JMJYLCBOUOTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H49N3Si2/c1-33-13-17-35(18-14-33)50(36-21-26-40(27-22-36)52(3,4)5)39-25-30-44-45(31-39)49-46-32-47(42-11-9-10-12-43(42)48(44)46)51(37-19-15-34(2)16-20-37)38-23-28-41(29-24-38)53(6,7)8/h9-32,49H,1-8H3.
What are the key properties of 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine?
5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine has a molecular weight of 724.11 g/mol, XLogP of 13.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,9-N-bis(4-methylphenyl)-5-N,9-N-bis(4-trimethylsilylphenyl)-7H-benzo[c]carbazole-5,9-diamine is sourced from PubChem (CID 174084078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).