11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine

C49H50N2Si2 — CID 140774313

IUPAC11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3cc21
InChIInChI=1S/C49H50N2Si2/c1-49(2)47-33-36-31-41(50(37-15-11-9-12-16-37)39-21-26-43(27-22-39)52(3,4)5)20-19-35(36)32-46(47)45-30-25-42(34-48(45)49)51(38-17-13-10-14-18-38)40-23-28-44(29-24-40)53(6,7)8/h9-34H,1-8H3
InChIKeyRCFHJAYTLHLDRS-UHFFFAOYSA-N
MW723.13 g/mol
LogP13.18
Rot. Bonds8

About 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine

11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine (PubChem CID 140774313) has the molecular formula C49H50N2Si2 and a molecular weight of 723.13 g/mol. Its IUPAC name is 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine.

Molecular Properties

Compound Name11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine
PubChem CID140774313
Molecular FormulaC49H50N2Si2
Molecular Weight723.13 g/mol
Exact Mass722.35
IUPAC Name11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine
SMILESCC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3cc21
InChIInChI=1S/C49H50N2Si2/c1-49(2)47-33-36-31-41(50(37-15-11-9-12-16-37)39-21-26-43(27-22-39)52(3,4)5)20-19-35(36)32-46(47)45-30-25-42(34-48(45)49)51(38-17-13-10-14-18-38)40-23-28-44(29-24-40)53(6,7)8/h9-34H,1-8H3
InChIKeyRCFHJAYTLHLDRS-UHFFFAOYSA-N
XLogP13.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.13
LogP ≤ 513.18
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-dimethylfluoren-2-yl)-11,11-dimethyl-N-phenylbenzo[b]fluoren-7-amine
CID 156554324
25,25-dimethyl-16-N,28-N-diphenyl-16-N,28-N-bis(4-trimethylsilylphenyl)heptacyclo[20.11.0.02,7.08,13.014,19.024,32.026,31]tritriaconta-1(33),2,4,6,8,10,12,14(19),15,17,20,22,24(32),26(31),27,29-hexadecaene-16,28-diamine
CID 163410937
[4-(N-[2-(N-(4-iodosulfanylphenyl)anilino)-11,11-dimethylbenzo[b]fluoren-8-yl]anilino)phenyl] thiohypoiodite
CID 126615908
11,11-dimethyl-3-N,3-N,9-N,9-N-tetraphenylbenzo[a]fluorene-3,9-diamine;11,11-dimethyl-2-N,2-N,8-N,8-N-tetraphenylbenzo[b]fluorene-2,8-diamine
CID 160909742
3,3,19,19-tetramethyl-16-N-naphthalen-2-yl-6-N,16-N-diphenyl-6-N-(4-trimethylsilylphenyl)-11-oxapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(12),2(10),4(9),5,7,13(18),14,16-octaene-6,16-diamine
CID 140749932
9,9-dimethyl-N-phenyl-N-(4-trimethylsilylphenyl)-7-[(E)-2-[4-(N-(4-trimethylsilylphenyl)anilino)phenyl]ethenyl]fluoren-2-amine
CID 58444636
11,11-dimethyl-N-phenyl-N-(4-phenylphenyl)benzo[b]fluoren-7-amine
CID 156554249
13,13,18,18-tetramethyl-8-N,8-N,23-N,23-N-tetraphenylheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaene-8,23-diamine
CID 155359969
N-(12,12-dimethyl-17-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-12,12,22,22-tetramethyl-N-phenylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 130290138
2-N,7-N-dinaphthalen-2-yl-9,9-diphenyl-2-N,7-N-bis(4-trimethylsilylphenyl)fluorene-2,7-diamine
CID 123150757
2-N,8-N-bis(4-tert-butylphenyl)-11,11-dimethyl-2-N,8-N-bis(4-phenylphenyl)benzo[b]fluorene-2,8-diamine
CID 122416670
6,6-dimethyl-3-N,8-N-dinaphthalen-2-yl-3-N,8-N-diphenylindeno[2,1-g]quinoline-3,8-diamine
CID 70882539

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine?
The IUPAC name of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine (CID 140774313) is 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine.
What is the SMILES notation for 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine?
The canonical SMILES for 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine is CC1(C)c2cc(N(c3ccccc3)c3ccc([Si](C)(C)C)cc3)ccc2-c2cc3ccc(N(c4ccccc4)c4ccc([Si](C)(C)C)cc4)cc3cc21.
What is the InChIKey of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine?
The InChIKey is RCFHJAYTLHLDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H50N2Si2/c1-49(2)47-33-36-31-41(50(37-15-11-9-12-16-37)39-21-26-43(27-22-39)52(3,4)5)20-19-35(36)32-46(47)45-30-25-42(34-48(45)49)51(38-17-13-10-14-18-38)40-23-28-44(29-24-40)53(6,7)8/h9-34H,1-8H3.
What are the key properties of 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine?
11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine has a molecular weight of 723.13 g/mol, XLogP of 13.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-2-N,8-N-diphenyl-2-N,8-N-bis(4-trimethylsilylphenyl)benzo[b]fluorene-2,8-diamine is sourced from PubChem (CID 140774313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).